1-cyclohexyl-N-cyclopropyl-3-(cyclopropylmethyl)-2-oxobenzimidazole-5-carboxamide

C21H27N3O2 — CID 70761921

IUPAC1-cyclohexyl-N-cyclopropyl-3-(cyclopropylmethyl)-2-oxobenzimidazole-5-carboxamide
SMILESO=C(NC1CC1)c1ccc2c(c1)n(CC1CC1)c(=O)n2C1CCCCC1
InChIInChI=1S/C21H27N3O2/c25-20(22-16-9-10-16)15-8-11-18-19(12-15)23(13-14-6-7-14)21(26)24(18)17-4-2-1-3-5-17/h8,11-12,14,16-17H,1-7,9-10,13H2,(H,22,25)
InChIKeyOELOERSMZHLNBU-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.61
Rot. Bonds5

About 1-cyclohexyl-N-cyclopropyl-3-(cyclopropylmethyl)-2-oxobenzimidazole-5-carboxamide

1-cyclohexyl-N-cyclopropyl-3-(cyclopropylmethyl)-2-oxobenzimidazole-5-carboxamide (PubChem CID 70761921) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 1-cyclohexyl-N-cyclopropyl-3-(cyclopropylmethyl)-2-oxobenzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-N-cyclopropyl-3-(cyclopropylmethyl)-2-oxobenzimidazole-5-carboxamide
PubChem CID70761921
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name1-cyclohexyl-N-cyclopropyl-3-(cyclopropylmethyl)-2-oxobenzimidazole-5-carboxamide
SMILESO=C(NC1CC1)c1ccc2c(c1)n(CC1CC1)c(=O)n2C1CCCCC1
InChIInChI=1S/C21H27N3O2/c25-20(22-16-9-10-16)15-8-11-18-19(12-15)23(13-14-6-7-14)21(26)24(18)17-4-2-1-3-5-17/h8,11-12,14,16-17H,1-7,9-10,13H2,(H,22,25)
InChIKeyOELOERSMZHLNBU-UHFFFAOYSA-N
XLogP3.61
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-cyclohexyl-N-cyclopropyl-3-(cyclopropylmethyl)-2-oxobenzimidazole-5-carboxamide 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-cyclohexyl-3-(cyclopropylmethyl)-N-(2-hydroxyethyl)-2-oxobenzimidazole-5-carboxamide
CID 70773055
N-(3-amino-3-oxopropyl)-1-cyclohexyl-3-(cyclopropylmethyl)-2-oxobenzimidazole-5-carboxamide
CID 70783918
1-cyclohexyl-3-(cyclopropylmethyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-oxobenzimidazole-5-carboxamide
CID 70708176
1-cyclohexyl-3-(cyclopropylmethyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxobenzimidazole-5-carboxamide
CID 70781008
N-(3-amino-3-oxopropyl)-1-cyclohexyl-3-(cyclopropylmethyl)-N-methyl-2-oxobenzimidazole-5-carboxamide
CID 70711167
N,1-dicyclohexyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 3232123
cis-(1R,3S)-3-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120678804
2-cyclohexyl-N-cyclopropyl-1-oxo-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide
CID 53148797
N-cycloheptyl-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186476
3-amino-N-(1-cyclohexylpiperidin-4-yl)benzamide
CID 119895195
N-cyclohexyl-3,4-diethoxybenzamide
CID 917356
9-cyclohexyl-N-propylcarbazole-3-carboxamide
CID 69163886

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-cyclopropyl-3-(cyclopropylmethyl)-2-oxobenzimidazole-5-carboxamide?
The IUPAC name of 1-cyclohexyl-N-cyclopropyl-3-(cyclopropylmethyl)-2-oxobenzimidazole-5-carboxamide (CID 70761921) is 1-cyclohexyl-N-cyclopropyl-3-(cyclopropylmethyl)-2-oxobenzimidazole-5-carboxamide.
What is the SMILES notation for 1-cyclohexyl-N-cyclopropyl-3-(cyclopropylmethyl)-2-oxobenzimidazole-5-carboxamide?
The canonical SMILES for 1-cyclohexyl-N-cyclopropyl-3-(cyclopropylmethyl)-2-oxobenzimidazole-5-carboxamide is O=C(NC1CC1)c1ccc2c(c1)n(CC1CC1)c(=O)n2C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-cyclopropyl-3-(cyclopropylmethyl)-2-oxobenzimidazole-5-carboxamide?
The InChIKey is OELOERSMZHLNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c25-20(22-16-9-10-16)15-8-11-18-19(12-15)23(13-14-6-7-14)21(26)24(18)17-4-2-1-3-5-17/h8,11-12,14,16-17H,1-7,9-10,13H2,(H,22,25).
What are the key properties of 1-cyclohexyl-N-cyclopropyl-3-(cyclopropylmethyl)-2-oxobenzimidazole-5-carboxamide?
1-cyclohexyl-N-cyclopropyl-3-(cyclopropylmethyl)-2-oxobenzimidazole-5-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-cyclopropyl-3-(cyclopropylmethyl)-2-oxobenzimidazole-5-carboxamide is sourced from PubChem (CID 70761921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).