2-butyl-6-chloro-3-[(2-chlorophenyl)methyl]benzimidazole-4-carboxylic acid

C19H18Cl2N2O2 — CID 19094249

IUPAC2-butyl-6-chloro-3-[(2-chlorophenyl)methyl]benzimidazole-4-carboxylic acid
SMILESCCCCc1nc2cc(Cl)cc(C(=O)O)c2n1Cc1ccccc1Cl
InChIInChI=1S/C19H18Cl2N2O2/c1-2-3-8-17-22-16-10-13(20)9-14(19(24)25)18(16)23(17)11-12-6-4-5-7-15(12)21/h4-7,9-10H,2-3,8,11H2,1H3,(H,24,25)
InChIKeyODGQWKKSJWJGJO-UHFFFAOYSA-N
MW377.27 g/mol
LogP5.43
Rot. Bonds6

About 2-butyl-6-chloro-3-[(2-chlorophenyl)methyl]benzimidazole-4-carboxylic acid

2-butyl-6-chloro-3-[(2-chlorophenyl)methyl]benzimidazole-4-carboxylic acid (PubChem CID 19094249) has the molecular formula C19H18Cl2N2O2 and a molecular weight of 377.27 g/mol. Its IUPAC name is 2-butyl-6-chloro-3-[(2-chlorophenyl)methyl]benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-butyl-6-chloro-3-[(2-chlorophenyl)methyl]benzimidazole-4-carboxylic acid
PubChem CID19094249
Molecular FormulaC19H18Cl2N2O2
Molecular Weight377.27 g/mol
Exact Mass376.07
IUPAC Name2-butyl-6-chloro-3-[(2-chlorophenyl)methyl]benzimidazole-4-carboxylic acid
SMILESCCCCc1nc2cc(Cl)cc(C(=O)O)c2n1Cc1ccccc1Cl
InChIInChI=1S/C19H18Cl2N2O2/c1-2-3-8-17-22-16-10-13(20)9-14(19(24)25)18(16)23(17)11-12-6-4-5-7-15(12)21/h4-7,9-10H,2-3,8,11H2,1H3,(H,24,25)
InChIKeyODGQWKKSJWJGJO-UHFFFAOYSA-N
XLogP5.43
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.27
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-butyl-3-[(2-chlorophenyl)methyl]benzimidazole-5-carboxamide;hydrochloride
CID 139615644
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
2-[[2-butyl-7-(chloromethyl)benzimidazol-1-yl]methyl]-6-phenylbenzoic acid
CID 142633081
1-[2-butyl-3-[(2-chlorophenyl)methyl]-5-methylimidazo[4,5-b]pyridin-6-yl]-3-(3-chlorophenyl)urea
CID 3212358
[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl] benzoate
CID 23191507
2-butyl-1-[(2-chlorophenyl)methyl]imidazole-4-carbaldehyde
CID 54125774
2-[[2-[2-butyl-5-chloro-3-[(2-chlorophenyl)methyl]imidazol-4-yl]acetyl]amino]-3-phenylpropanoic acid
CID 67858633
(E)-6-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]hex-4-enoic acid
CID 67736161
N-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propyl]butanamide
CID 4754809
N-[3-[(2-chlorophenyl)methyl]-2-propylbenzimidazol-5-yl]acetamide
CID 22620334

Frequently Asked Questions

What is the IUPAC name of 2-butyl-6-chloro-3-[(2-chlorophenyl)methyl]benzimidazole-4-carboxylic acid?
The IUPAC name of 2-butyl-6-chloro-3-[(2-chlorophenyl)methyl]benzimidazole-4-carboxylic acid (CID 19094249) is 2-butyl-6-chloro-3-[(2-chlorophenyl)methyl]benzimidazole-4-carboxylic acid.
What is the SMILES notation for 2-butyl-6-chloro-3-[(2-chlorophenyl)methyl]benzimidazole-4-carboxylic acid?
The canonical SMILES for 2-butyl-6-chloro-3-[(2-chlorophenyl)methyl]benzimidazole-4-carboxylic acid is CCCCc1nc2cc(Cl)cc(C(=O)O)c2n1Cc1ccccc1Cl.
What is the InChIKey of 2-butyl-6-chloro-3-[(2-chlorophenyl)methyl]benzimidazole-4-carboxylic acid?
The InChIKey is ODGQWKKSJWJGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O2/c1-2-3-8-17-22-16-10-13(20)9-14(19(24)25)18(16)23(17)11-12-6-4-5-7-15(12)21/h4-7,9-10H,2-3,8,11H2,1H3,(H,24,25).
What are the key properties of 2-butyl-6-chloro-3-[(2-chlorophenyl)methyl]benzimidazole-4-carboxylic acid?
2-butyl-6-chloro-3-[(2-chlorophenyl)methyl]benzimidazole-4-carboxylic acid has a molecular weight of 377.27 g/mol, XLogP of 5.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-6-chloro-3-[(2-chlorophenyl)methyl]benzimidazole-4-carboxylic acid is sourced from PubChem (CID 19094249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).