1-cyclohexyl-2-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]ethanone

C22H32N4O — CID 72549860

IUPAC1-cyclohexyl-2-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]ethanone
SMILES[H]/N=c1\n(CCN2CCCCC2)c2ccccc2n1CC(=O)C1CCCCC1
InChIInChI=1S/C22H32N4O/c23-22-25(16-15-24-13-7-2-8-14-24)19-11-5-6-12-20(19)26(22)17-21(27)18-9-3-1-4-10-18/h5-6,11-12,18,23H,1-4,7-10,13-17H2/b23-22+
InChIKeyLDGFNUUVBDIPKH-GHVJWSGMSA-N
MW368.53 g/mol
LogP3.56
Rot. Bonds6

About 1-cyclohexyl-2-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]ethanone

1-cyclohexyl-2-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]ethanone (PubChem CID 72549860) has the molecular formula C22H32N4O and a molecular weight of 368.53 g/mol. Its IUPAC name is 1-cyclohexyl-2-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]ethanone.

Molecular Properties

Compound Name1-cyclohexyl-2-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]ethanone
PubChem CID72549860
Molecular FormulaC22H32N4O
Molecular Weight368.53 g/mol
Exact Mass368.26
IUPAC Name1-cyclohexyl-2-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]ethanone
SMILES[H]/N=c1\n(CCN2CCCCC2)c2ccccc2n1CC(=O)C1CCCCC1
InChIInChI=1S/C22H32N4O/c23-22-25(16-15-24-13-7-2-8-14-24)19-11-5-6-12-20(19)26(22)17-21(27)18-9-3-1-4-10-18/h5-6,11-12,18,23H,1-4,7-10,13-17H2/b23-22+
InChIKeyLDGFNUUVBDIPKH-GHVJWSGMSA-N
XLogP3.56
TPSA54.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-cyclohexyl-2-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]ethanone 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-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]-3-methylbutan-2-one
CID 72550075
methyl 2-[2-[2-imino-3-(2-pyrrolidin-1-ylethyl)benzimidazol-1-yl]acetyl]benzoate;hydrobromide
CID 44889413
2-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]-1-phenylethanol
CID 2868077
1-(3,4-dimethoxyphenyl)-2-[2-imino-3-(2-pyrrolidin-1-ylethyl)benzimidazol-1-yl]ethanone;hydrobromide
CID 44889168
1-(2-phenoxyethyl)-3-(2-piperidin-1-ylethyl)benzimidazol-2-imine
CID 1043068
1-(furan-2-yl)-2-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]ethanol
CID 3130803
2-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]-1-(4-methylphenyl)ethanone
CID 1125264
1-(furan-2-yl)-2-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]ethanone;hydrobromide
CID 2881509
1-(2-cyclopentyl-2-oxoethyl)-3-propylbenzimidazol-2-one
CID 104751301
4-[2-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]acetyl]benzonitrile;hydrobromide
CID 163331898
1-(3,4-dichlorophenyl)-2-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]ethanol chloride
CID 53346962
1-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]-3-(2-methylphenoxy)propan-2-ol
CID 2952649

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]ethanone?
The IUPAC name of 1-cyclohexyl-2-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]ethanone (CID 72549860) is 1-cyclohexyl-2-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]ethanone.
What is the SMILES notation for 1-cyclohexyl-2-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]ethanone?
The canonical SMILES for 1-cyclohexyl-2-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]ethanone is [H]/N=c1\n(CCN2CCCCC2)c2ccccc2n1CC(=O)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]ethanone?
The InChIKey is LDGFNUUVBDIPKH-GHVJWSGMSA-N. The full InChI is InChI=1S/C22H32N4O/c23-22-25(16-15-24-13-7-2-8-14-24)19-11-5-6-12-20(19)26(22)17-21(27)18-9-3-1-4-10-18/h5-6,11-12,18,23H,1-4,7-10,13-17H2/b23-22+.
What are the key properties of 1-cyclohexyl-2-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]ethanone?
1-cyclohexyl-2-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]ethanone has a molecular weight of 368.53 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]ethanone is sourced from PubChem (CID 72549860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).