1-(azepan-1-yl)-2-(2-cyclohexylbenzimidazol-1-yl)ethanone

C21H29N3O — CID 16996658

IUPAC1-(azepan-1-yl)-2-(2-cyclohexylbenzimidazol-1-yl)ethanone
SMILESO=C(Cn1c(C2CCCCC2)nc2ccccc21)N1CCCCCC1
InChIInChI=1S/C21H29N3O/c25-20(23-14-8-1-2-9-15-23)16-24-19-13-7-6-12-18(19)22-21(24)17-10-4-3-5-11-17/h6-7,12-13,17H,1-5,8-11,14-16H2
InChIKeyOGUBSOGLTGJNAX-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.49
Rot. Bonds3

About 1-(azepan-1-yl)-2-(2-cyclohexylbenzimidazol-1-yl)ethanone

1-(azepan-1-yl)-2-(2-cyclohexylbenzimidazol-1-yl)ethanone (PubChem CID 16996658) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-(2-cyclohexylbenzimidazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-(2-cyclohexylbenzimidazol-1-yl)ethanone
PubChem CID16996658
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC Name1-(azepan-1-yl)-2-(2-cyclohexylbenzimidazol-1-yl)ethanone
SMILESO=C(Cn1c(C2CCCCC2)nc2ccccc21)N1CCCCCC1
InChIInChI=1S/C21H29N3O/c25-20(23-14-8-1-2-9-15-23)16-24-19-13-7-6-12-18(19)22-21(24)17-10-4-3-5-11-17/h6-7,12-13,17H,1-5,8-11,14-16H2
InChIKeyOGUBSOGLTGJNAX-UHFFFAOYSA-N
XLogP4.49
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-cyclohexylbenzimidazol-1-yl)-1-piperidin-1-ylethanone
CID 16996660
(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 1-(azepan-1-yl)-2-(2-cyclohexylbenzimidazol-1-yl)ethanone?
The IUPAC name of 1-(azepan-1-yl)-2-(2-cyclohexylbenzimidazol-1-yl)ethanone (CID 16996658) is 1-(azepan-1-yl)-2-(2-cyclohexylbenzimidazol-1-yl)ethanone.
What is the SMILES notation for 1-(azepan-1-yl)-2-(2-cyclohexylbenzimidazol-1-yl)ethanone?
The canonical SMILES for 1-(azepan-1-yl)-2-(2-cyclohexylbenzimidazol-1-yl)ethanone is O=C(Cn1c(C2CCCCC2)nc2ccccc21)N1CCCCCC1.
What is the InChIKey of 1-(azepan-1-yl)-2-(2-cyclohexylbenzimidazol-1-yl)ethanone?
The InChIKey is OGUBSOGLTGJNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c25-20(23-14-8-1-2-9-15-23)16-24-19-13-7-6-12-18(19)22-21(24)17-10-4-3-5-11-17/h6-7,12-13,17H,1-5,8-11,14-16H2.
What are the key properties of 1-(azepan-1-yl)-2-(2-cyclohexylbenzimidazol-1-yl)ethanone?
1-(azepan-1-yl)-2-(2-cyclohexylbenzimidazol-1-yl)ethanone has a molecular weight of 339.48 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-2-(2-cyclohexylbenzimidazol-1-yl)ethanone is sourced from PubChem (CID 16996658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).