2-butyl-3-[(2-chlorophenyl)methyl]benzimidazole-5-carboxamide;hydrochloride

C19H21Cl2N3O — CID 139615644

IUPAC2-butyl-3-[(2-chlorophenyl)methyl]benzimidazole-5-carboxamide;hydrochloride
SMILESCCCCc1nc2ccc(C(N)=O)cc2n1Cc1ccccc1Cl.Cl
InChIInChI=1S/C19H20ClN3O.ClH/c1-2-3-8-18-22-16-10-9-13(19(21)24)11-17(16)23(18)12-14-6-4-5-7-15(14)20;/h4-7,9-11H,2-3,8,12H2,1H3,(H2,21,24);1H
InChIKeySBTYIXGBEKBXDS-UHFFFAOYSA-N
MW378.30 g/mol
LogP4.60
Rot. Bonds6

About 2-butyl-3-[(2-chlorophenyl)methyl]benzimidazole-5-carboxamide;hydrochloride

2-butyl-3-[(2-chlorophenyl)methyl]benzimidazole-5-carboxamide;hydrochloride (PubChem CID 139615644) has the molecular formula C19H21Cl2N3O and a molecular weight of 378.30 g/mol. Its IUPAC name is 2-butyl-3-[(2-chlorophenyl)methyl]benzimidazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-butyl-3-[(2-chlorophenyl)methyl]benzimidazole-5-carboxamide;hydrochloride
PubChem CID139615644
Molecular FormulaC19H21Cl2N3O
Molecular Weight378.30 g/mol
Exact Mass377.11
IUPAC Name2-butyl-3-[(2-chlorophenyl)methyl]benzimidazole-5-carboxamide;hydrochloride
SMILESCCCCc1nc2ccc(C(N)=O)cc2n1Cc1ccccc1Cl.Cl
InChIInChI=1S/C19H20ClN3O.ClH/c1-2-3-8-18-22-16-10-9-13(19(21)24)11-17(16)23(18)12-14-6-4-5-7-15(14)20;/h4-7,9-11H,2-3,8,12H2,1H3,(H2,21,24);1H
InChIKeySBTYIXGBEKBXDS-UHFFFAOYSA-N
XLogP4.60
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.30
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-butyl-3-[(2-chlorophenyl)methyl]benzimidazole-5-carboxamide;hydrochloride 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-butyl-3-[(2-chlorophenyl)methyl]benzimidazol-5-yl]-2-methylpropan-1-one
CID 18315589
2-butyl-3-[(2-chlorophenyl)methyl]-N,N-dimethylbenzimidazole-5-carboxamide
CID 18315518
[2-butyl-3-[(2-chlorophenyl)methyl]benzimidazol-5-yl]methanol
CID 19094237
[3-[(2-chlorophenyl)methyl]-2-propylbenzimidazol-5-yl]-piperidin-1-ylmethanone
CID 18315440
ethyl 2-benzyl-3-[(2-chlorophenyl)methyl]benzimidazole-5-carboxylate
CID 18680791
N-[3-[(2-chlorophenyl)methyl]-2-propylbenzimidazol-5-yl]acetamide
CID 22620334
N-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propyl]butanamide
CID 4754809
3-[(2-chlorophenyl)methyl]-2-propyl-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide
CID 54266313
4-[(2-butylbenzimidazol-1-yl)methyl]benzoic acid
CID 14987298
2-butyl-6-chloro-3-[(2-chlorophenyl)methyl]benzimidazole-4-carboxylic acid
CID 19094249
N-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propyl]-4-methylbenzamide
CID 16984277
3-[(2-chloro-4-phenylphenyl)methyl]-2-methylbenzimidazole-5-carboxamide
CID 174361162

Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-[(2-chlorophenyl)methyl]benzimidazole-5-carboxamide;hydrochloride?
The IUPAC name of 2-butyl-3-[(2-chlorophenyl)methyl]benzimidazole-5-carboxamide;hydrochloride (CID 139615644) is 2-butyl-3-[(2-chlorophenyl)methyl]benzimidazole-5-carboxamide;hydrochloride.
What is the SMILES notation for 2-butyl-3-[(2-chlorophenyl)methyl]benzimidazole-5-carboxamide;hydrochloride?
The canonical SMILES for 2-butyl-3-[(2-chlorophenyl)methyl]benzimidazole-5-carboxamide;hydrochloride is CCCCc1nc2ccc(C(N)=O)cc2n1Cc1ccccc1Cl.Cl.
What is the InChIKey of 2-butyl-3-[(2-chlorophenyl)methyl]benzimidazole-5-carboxamide;hydrochloride?
The InChIKey is SBTYIXGBEKBXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O.ClH/c1-2-3-8-18-22-16-10-9-13(19(21)24)11-17(16)23(18)12-14-6-4-5-7-15(14)20;/h4-7,9-11H,2-3,8,12H2,1H3,(H2,21,24);1H.
What are the key properties of 2-butyl-3-[(2-chlorophenyl)methyl]benzimidazole-5-carboxamide;hydrochloride?
2-butyl-3-[(2-chlorophenyl)methyl]benzimidazole-5-carboxamide;hydrochloride has a molecular weight of 378.30 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-[(2-chlorophenyl)methyl]benzimidazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 139615644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).