2-(2-cyclohexylbenzimidazol-1-yl)-1-piperidin-1-ylethanone

C20H27N3O — CID 16996660

IUPAC2-(2-cyclohexylbenzimidazol-1-yl)-1-piperidin-1-ylethanone
SMILESO=C(Cn1c(C2CCCCC2)nc2ccccc21)N1CCCCC1
InChIInChI=1S/C20H27N3O/c24-19(22-13-7-2-8-14-22)15-23-18-12-6-5-11-17(18)21-20(23)16-9-3-1-4-10-16/h5-6,11-12,16H,1-4,7-10,13-15H2
InChIKeyIJPUVBMZCXBICP-UHFFFAOYSA-N
MW325.46 g/mol
LogP4.10
Rot. Bonds3

About 2-(2-cyclohexylbenzimidazol-1-yl)-1-piperidin-1-ylethanone

2-(2-cyclohexylbenzimidazol-1-yl)-1-piperidin-1-ylethanone (PubChem CID 16996660) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 2-(2-cyclohexylbenzimidazol-1-yl)-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(2-cyclohexylbenzimidazol-1-yl)-1-piperidin-1-ylethanone
PubChem CID16996660
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name2-(2-cyclohexylbenzimidazol-1-yl)-1-piperidin-1-ylethanone
SMILESO=C(Cn1c(C2CCCCC2)nc2ccccc21)N1CCCCC1
InChIInChI=1S/C20H27N3O/c24-19(22-13-7-2-8-14-22)15-23-18-12-6-5-11-17(18)21-20(23)16-9-3-1-4-10-16/h5-6,11-12,16H,1-4,7-10,13-15H2
InChIKeyIJPUVBMZCXBICP-UHFFFAOYSA-N
XLogP4.10
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2-cyclohexylbenzimidazol-1-yl)-1-piperidin-1-ylethanone 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

1-(azepan-1-yl)-2-(2-cyclohexylbenzimidazol-1-yl)ethanone
CID 16996658
(4R)-4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-cyclopropylpyrrolidin-2-one
CID 39730145
2-[2-[(2S)-1-acetylpyrrolidin-2-yl]benzimidazol-1-yl]-1-piperidin-1-ylethanone
CID 26864495
2-(2-cyclopropylbenzimidazol-1-yl)-1-[(3R)-3-ethoxypiperidin-1-yl]ethanone
CID 95283403
2-(2-cyclopropylbenzimidazol-1-yl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 16996738
(4S)-1-(2-methylphenyl)-4-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 42387107
4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(4-fluorophenyl)pyrrolidin-2-one
CID 17004648
4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(2-phenylethyl)pyrrolidin-2-one
CID 17005823
1-(2-fluorophenyl)-4-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17003499
4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(2-bromophenyl)pyrrolidin-2-one
CID 17003393
4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(4-chlorophenyl)pyrrolidin-2-one
CID 17004584
1-(azepan-1-yl)-2-[2-oxo-2-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]ethoxy]ethanone
CID 91947317

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexylbenzimidazol-1-yl)-1-piperidin-1-ylethanone?
The IUPAC name of 2-(2-cyclohexylbenzimidazol-1-yl)-1-piperidin-1-ylethanone (CID 16996660) is 2-(2-cyclohexylbenzimidazol-1-yl)-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(2-cyclohexylbenzimidazol-1-yl)-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(2-cyclohexylbenzimidazol-1-yl)-1-piperidin-1-ylethanone is O=C(Cn1c(C2CCCCC2)nc2ccccc21)N1CCCCC1.
What is the InChIKey of 2-(2-cyclohexylbenzimidazol-1-yl)-1-piperidin-1-ylethanone?
The InChIKey is IJPUVBMZCXBICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c24-19(22-13-7-2-8-14-22)15-23-18-12-6-5-11-17(18)21-20(23)16-9-3-1-4-10-16/h5-6,11-12,16H,1-4,7-10,13-15H2.
What are the key properties of 2-(2-cyclohexylbenzimidazol-1-yl)-1-piperidin-1-ylethanone?
2-(2-cyclohexylbenzimidazol-1-yl)-1-piperidin-1-ylethanone has a molecular weight of 325.46 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexylbenzimidazol-1-yl)-1-piperidin-1-ylethanone is sourced from PubChem (CID 16996660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).