1-(3-chloro-4-methoxyphenyl)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-methylpropyl)benzimidazol-2-yl]piperidin-2-one

C28H31ClN4O3 — CID 154948639

IUPAC1-(3-chloro-4-methoxyphenyl)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-methylpropyl)benzimidazol-2-yl]piperidin-2-one
SMILESCOc1ccc(N2C(=O)CCCC2c2nc3cc(-c4c(C)noc4C)ccc3n2CC(C)C)cc1Cl
InChIInChI=1S/C28H31ClN4O3/c1-16(2)15-32-23-11-9-19(27-17(3)31-36-18(27)4)13-22(23)30-28(32)24-7-6-8-26(34)33(24)20-10-12-25(35-5)21(29)14-20/h9-14,16,24H,6-8,15H2,1-5H3
InChIKeyHDKDLCMPSYTUPO-UHFFFAOYSA-N
MW507.03 g/mol
LogP6.88
Rot. Bonds6

About 1-(3-chloro-4-methoxyphenyl)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-methylpropyl)benzimidazol-2-yl]piperidin-2-one

1-(3-chloro-4-methoxyphenyl)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-methylpropyl)benzimidazol-2-yl]piperidin-2-one (PubChem CID 154948639) has the molecular formula C28H31ClN4O3 and a molecular weight of 507.03 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-methylpropyl)benzimidazol-2-yl]piperidin-2-one.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-methylpropyl)benzimidazol-2-yl]piperidin-2-one
PubChem CID154948639
Molecular FormulaC28H31ClN4O3
Molecular Weight507.03 g/mol
Exact Mass506.21
IUPAC Name1-(3-chloro-4-methoxyphenyl)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-methylpropyl)benzimidazol-2-yl]piperidin-2-one
SMILESCOc1ccc(N2C(=O)CCCC2c2nc3cc(-c4c(C)noc4C)ccc3n2CC(C)C)cc1Cl
InChIInChI=1S/C28H31ClN4O3/c1-16(2)15-32-23-11-9-19(27-17(3)31-36-18(27)4)13-22(23)30-28(32)24-7-6-8-26(34)33(24)20-10-12-25(35-5)21(29)14-20/h9-14,16,24H,6-8,15H2,1-5H3
InChIKeyHDKDLCMPSYTUPO-UHFFFAOYSA-N
XLogP6.88
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.03
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(3-chloro-4-methoxyphenyl)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-methylpropyl)benzimidazol-2-yl]piperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6S)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-methylpropyl)benzimidazol-2-yl]-1-(3-fluoro-4-methylphenyl)piperidin-2-one;(6S)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-methylpropyl)benzimidazol-2-yl]piperidin-2-one
CID 159572290
1-(3-chloro-4-methoxyphenyl)-6-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-hydroxycyclohexyl)imidazo[4,5-b]pyridin-2-yl]piperidin-2-one
CID 154948555
(6S)-6-[1-cyclobutyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]-1-(3,4-dichlorophenyl)piperidin-2-one
CID 134457535
1-(3-chloro-4-methoxyphenyl)-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1R,3R)-3-methoxycyclopentyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 154948498
(5S)-1-(3-chloro-4-methoxyphenyl)-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-methylsulfinylpiperidin-4-yl)benzimidazol-2-yl]pyrrolidin-2-one;ethane
CID 142331114
6-[1-(3,3-difluorocyclobutyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]-1-(3-fluoro-4-methoxyphenyl)piperidin-2-one
CID 154948398
(6S)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxycyclohexyl)benzimidazol-2-yl]-1-(3-fluoro-4-methoxyphenyl)piperidin-2-one
CID 134457368
1-(3,4-difluorophenyl)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxycyclohexyl)benzimidazol-2-yl]piperidin-2-one
CID 139035552
(5S)-1-(3,4-difluorophenyl)-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-oxopropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 142331181
(6S)-1-(3-chloro-4-methylphenyl)-6-[1-(3,3-difluorocyclobutyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]piperidin-2-one;(6S)-6-[1-(3,3-difluorocyclobutyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]piperidin-2-one
CID 159799308
(6R)-1-(3,4-difluorophenyl)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxy-1-bicyclo[2.2.2]octanyl)benzimidazol-2-yl]piperidin-2-one
CID 171414209
1-(4-chloro-3-fluorophenyl)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-hydroxy-4-methylcyclohexyl)benzimidazol-2-yl]piperidin-2-one
CID 154948610

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-methylpropyl)benzimidazol-2-yl]piperidin-2-one?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-methylpropyl)benzimidazol-2-yl]piperidin-2-one (CID 154948639) is 1-(3-chloro-4-methoxyphenyl)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-methylpropyl)benzimidazol-2-yl]piperidin-2-one.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-methylpropyl)benzimidazol-2-yl]piperidin-2-one?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-methylpropyl)benzimidazol-2-yl]piperidin-2-one is COc1ccc(N2C(=O)CCCC2c2nc3cc(-c4c(C)noc4C)ccc3n2CC(C)C)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-methylpropyl)benzimidazol-2-yl]piperidin-2-one?
The InChIKey is HDKDLCMPSYTUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31ClN4O3/c1-16(2)15-32-23-11-9-19(27-17(3)31-36-18(27)4)13-22(23)30-28(32)24-7-6-8-26(34)33(24)20-10-12-25(35-5)21(29)14-20/h9-14,16,24H,6-8,15H2,1-5H3.
What are the key properties of 1-(3-chloro-4-methoxyphenyl)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-methylpropyl)benzimidazol-2-yl]piperidin-2-one?
1-(3-chloro-4-methoxyphenyl)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-methylpropyl)benzimidazol-2-yl]piperidin-2-one has a molecular weight of 507.03 g/mol, XLogP of 6.88, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyphenyl)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-methylpropyl)benzimidazol-2-yl]piperidin-2-one is sourced from PubChem (CID 154948639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).