4-butyl-N-(1-methylbenzimidazol-2-yl)cyclohexane-1-carboxamide

C19H27N3O — CID 3346804

IUPAC4-butyl-N-(1-methylbenzimidazol-2-yl)cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)Nc2nc3ccccc3n2C)CC1
InChIInChI=1S/C19H27N3O/c1-3-4-7-14-10-12-15(13-11-14)18(23)21-19-20-16-8-5-6-9-17(16)22(19)2/h5-6,8-9,14-15H,3-4,7,10-13H2,1-2H3,(H,20,21,23)
InChIKeyLBAHUIORQLCNHJ-UHFFFAOYSA-N
MW313.44 g/mol
LogP4.51
Rot. Bonds5

About 4-butyl-N-(1-methylbenzimidazol-2-yl)cyclohexane-1-carboxamide

4-butyl-N-(1-methylbenzimidazol-2-yl)cyclohexane-1-carboxamide (PubChem CID 3346804) has the molecular formula C19H27N3O and a molecular weight of 313.44 g/mol. Its IUPAC name is 4-butyl-N-(1-methylbenzimidazol-2-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-butyl-N-(1-methylbenzimidazol-2-yl)cyclohexane-1-carboxamide
PubChem CID3346804
Molecular FormulaC19H27N3O
Molecular Weight313.44 g/mol
Exact Mass313.22
IUPAC Name4-butyl-N-(1-methylbenzimidazol-2-yl)cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)Nc2nc3ccccc3n2C)CC1
InChIInChI=1S/C19H27N3O/c1-3-4-7-14-10-12-15(13-11-14)18(23)21-19-20-16-8-5-6-9-17(16)22(19)2/h5-6,8-9,14-15H,3-4,7,10-13H2,1-2H3,(H,20,21,23)
InChIKeyLBAHUIORQLCNHJ-UHFFFAOYSA-N
XLogP4.51
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-butyl-N-(1-methylbenzimidazol-2-yl)cyclohexane-1-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

N-(1H-benzimidazol-2-yl)-4-butylcyclohexane-1-carboxamide
CID 110493118
N-(6-bromo-2-pyridinyl)-4-butylcyclohexane-1-carboxamide
CID 43520432
N-(1-propylbenzimidazol-2-yl)piperidine-4-carboxamide;hydrochloride
CID 119265083
4-butyl-N'-(3-ethyl-4-oxoquinazolin-2-yl)cyclohexane-1-carbohydrazide
CID 17475140
1-ethylsulfonyl-N-(1-propylbenzimidazol-2-yl)piperidine-4-carboxamide
CID 34052499
tert-butyl 4-[(1-propylbenzimidazol-2-yl)carbamoyl]piperidine-1-carboxylate
CID 29322747
N-(2-aminophenyl)-4-butylcyclohexane-1-carboxamide;hydrochloride
CID 91659324
N-(3-cyclopentylpropyl)-1-methylbenzimidazol-2-amine
CID 106012665
(2R)-N-(1-methylbenzimidazol-2-yl)oxolane-2-carboxamide
CID 35280653
4-butyl-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide
CID 64542838
4-butyl-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 19206890
1-butylsulfonyl-N-(1-phenylbenzimidazol-2-yl)piperidine-4-carboxamide
CID 55806336

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-(1-methylbenzimidazol-2-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-butyl-N-(1-methylbenzimidazol-2-yl)cyclohexane-1-carboxamide (CID 3346804) is 4-butyl-N-(1-methylbenzimidazol-2-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-butyl-N-(1-methylbenzimidazol-2-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-butyl-N-(1-methylbenzimidazol-2-yl)cyclohexane-1-carboxamide is CCCCC1CCC(C(=O)Nc2nc3ccccc3n2C)CC1.
What is the InChIKey of 4-butyl-N-(1-methylbenzimidazol-2-yl)cyclohexane-1-carboxamide?
The InChIKey is LBAHUIORQLCNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-3-4-7-14-10-12-15(13-11-14)18(23)21-19-20-16-8-5-6-9-17(16)22(19)2/h5-6,8-9,14-15H,3-4,7,10-13H2,1-2H3,(H,20,21,23).
What are the key properties of 4-butyl-N-(1-methylbenzimidazol-2-yl)cyclohexane-1-carboxamide?
4-butyl-N-(1-methylbenzimidazol-2-yl)cyclohexane-1-carboxamide has a molecular weight of 313.44 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-(1-methylbenzimidazol-2-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 3346804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).