Chemical identity

1-(2-(4-(2,5-dimethylphenyl)-1H-imidazol-2-yl)piperidin-1-yl)-2-(methylthio)propan-1-one

CAS 2249128-44-5 · C20H27N3OS

01Identity

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

Lazychem IDLC-01029
PubChem CID138046239
Name1-(2-(4-(2,5-dimethylphenyl)-1H-imidazol-2-yl)piperidin-1-yl)-2-(methylthio)propan-1-one
CAS RN2249128-44-5
Molecular formulaC20H27N3OS
Molecular weight357.5 g/mol
IUPAC name1-(2-(4-(2,5-dimethylphenyl)-1H-imidazol-2-yl)piperidin-1-yl)-2-(methylthio)propan-1-one
InChIKeyPOMTXBHIIWLXEI-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 138046239
2D structure: 1-(2-(4-(2,5-dimethylphenyl)-1H-imidazol-2-yl)piperidin-1-yl)-2-(methylthio)propan-1-one, CAS 2249128-44-5
Structure of 1-(2-(4-(2,5-dimethylphenyl)-1H-imidazol-2-yl)piperidin-1-yl)-2-(methylthio)propan-1-one (CAS 2249128-44-5). LazyChem record. Source identity: PubChem CID 138046239. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC20H27N3OS
InChIKeyPOMTXBHIIWLXEI-UHFFFAOYSA-N
Ring count3
Defined stereocentres0
Unassigned stereocentres2
SMILESCC1=CC(=C(C=C1)C)C2=CN=C(N2)C3CCCCN3C(=O)C(C)SC
InChIInChI=1S/C20H27N3OS/c1-13-8-9-14(2)16(11-13)17-12-21-19(22-17)18-7-5-6-10-23(18)20(24)15(3)25-4/h8-9,11-12,15,18H,5-7,10H2,1-4H3,(H,21,22)

03Stereochemistry

The published structure contains 0 defined and 2 unassigned tetrahedral stereocentres. The exact wedge-and-dash depiction is shown above.

Defined stereocentres02D structure
Unassigned stereocentres22D structure
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 4Before 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 / RCSNOT FOUND IN REVIEWED ENTRIESCAS 2249128-44-5 was not found in the reviewed exact-identity entries. Generic, class, analogue, salt and isomer provisions were not evaluated.
SCOMETNOT FOUND IN REVIEWED CAS ENTRIESCAS 2249128-44-5 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Imidazole

View API and impurity family

Other names

  • 1-(2-(4-(2,5-Dimethylphenyl)-1H-imidazol-2-yl)piperidin-1-yl)-2-(methylthio)propan-1-one

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