Chemical identity

(S)-Benzyl (1-(4-Phenyl-1H-imidazol-2-yl)ethyl)carbamate

CAS 864825-21-8 · C19H19N3O2

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-00832
PubChem CID57978831
Name(S)-Benzyl (1-(4-Phenyl-1H-imidazol-2-yl)ethyl)carbamate
CAS RN864825-21-8
Molecular formulaC19H19N3O2
Molecular weight321.37 g/mol
IUPAC name(S)-Benzyl (1-(4-Phenyl-1H-imidazol-2-yl)ethyl)carbamate
InChIKeyIWDPWKLTLCLZLA-AWEZNQCLSA-N

02Structure identifiers

2D structurePubChem CID 57978831
Two-dimensional chemical structure of (S)-Benzyl (1-(4-Phenyl-1H-imidazol-2-yl)ethyl)carbamate, CAS 864825-21-8
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 3 rings, includes aromatic atoms, includes aliphatic carbon, has 1 defined stereocentre. These statements are calculated from the published structure string.

Defined stereocentres1
Unassigned stereocentres0
Ring count3
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESC[C@@H](C1=NC=C(N1)C2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3
InChINot listed
Formula from structureC19H19N3O2
Molecular weight from structure321.37 g/mol

03Stereochemistry

The published structure contains 1 defined and 0 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.

Defined centres1Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 2Before symmetry reduction

Published same-connectivity configurations

1 record

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNO EXACT MATCH FOUNDCAS 864825-21-8 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 864825-21-8 has no exact match in the reviewed SCOMET list.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

05Names and relationships

Associated parent compound

Eluxadoline

View API and impurity family

Other names

  • benzyl N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]carbamate
  • Phenylmethyl N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]carbamate
  • (S)-benzyl (1-(4-phenyl-1H-imidazol-2-yl)ethyl)carbamate
  • 864825-21-8
  • MFCD28952902
  • SCHEMBL12971777
  • SCHEMBL21158887
  • DTXSID501166905
  • CS-M3112
  • AKOS037650493
  • Carbamic acid, [(1S)-1-(4-phenyl-1H-imidazol-2-yl)ethyl]-, phenylmethyl ester
  • CS-14887

Related records from the same parent family

06Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

07Sources