4-[(4-bromo-1H-benzimidazol-2-yl)methyl]benzoic acid

C15H11BrN2O2 — CID 175326506

IUPAC4-[(4-bromo-1H-benzimidazol-2-yl)methyl]benzoic acid
SMILESO=C(O)c1ccc(Cc2nc3c(Br)cccc3[nH]2)cc1
InChIInChI=1S/C15H11BrN2O2/c16-11-2-1-3-12-14(11)18-13(17-12)8-9-4-6-10(7-5-9)15(19)20/h1-7H,8H2,(H,17,18)(H,19,20)
InChIKeyBLCRBNOLGJJGKC-UHFFFAOYSA-N
MW331.17 g/mol
LogP3.61
Rot. Bonds3

About 4-[(4-bromo-1H-benzimidazol-2-yl)methyl]benzoic acid

4-[(4-bromo-1H-benzimidazol-2-yl)methyl]benzoic acid (PubChem CID 175326506) has the molecular formula C15H11BrN2O2 and a molecular weight of 331.17 g/mol. Its IUPAC name is 4-[(4-bromo-1H-benzimidazol-2-yl)methyl]benzoic acid.

Molecular Properties

Compound Name4-[(4-bromo-1H-benzimidazol-2-yl)methyl]benzoic acid
PubChem CID175326506
Molecular FormulaC15H11BrN2O2
Molecular Weight331.17 g/mol
Exact Mass330.00
IUPAC Name4-[(4-bromo-1H-benzimidazol-2-yl)methyl]benzoic acid
SMILESO=C(O)c1ccc(Cc2nc3c(Br)cccc3[nH]2)cc1
InChIInChI=1S/C15H11BrN2O2/c16-11-2-1-3-12-14(11)18-13(17-12)8-9-4-6-10(7-5-9)15(19)20/h1-7H,8H2,(H,17,18)(H,19,20)
InChIKeyBLCRBNOLGJJGKC-UHFFFAOYSA-N
XLogP3.61
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[(4-bromo-1H-benzimidazol-2-yl)methyl]benzoic acid 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

2-[(4-fluorophenyl)methyl]-1H-benzimidazole-4-carboxylic acid
CID 63032815
(4-bromo-1H-benzimidazol-2-yl)methyl-tert-butylcarbamic acid
CID 135150259
2-(4-bromo-1H-benzimidazol-2-yl)ethanol
CID 83866918
2-benzyl-1H-benzimidazole-4-carboxamide
CID 154521483
2-benzyl-1H-benzimidazole-4-carbonyl chloride
CID 54137883
2-[(4-bromophenyl)methyl]-4-chloro-1H-benzimidazole
CID 64722299
2-benzyl-4-methyl-1H-benzimidazole
CID 12948781
2-[(4-aminophenyl)methyl]-3H-benzimidazole-5-carboxylic acid;dihydrochloride
CID 44630860
2-[(4-aminophenyl)methyl]-3H-benzimidazole-5-carboxylic acid dichloride
CID 43829287
2-[(4-tert-butylphenyl)methyl]-3H-benzimidazole-5-carboxylic acid
CID 145226643
4-[(2-bromophenyl)methyl]benzoic acid
CID 116927223
1-[(4-bromo-1H-benzimidazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 167767414

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-1H-benzimidazol-2-yl)methyl]benzoic acid?
The IUPAC name of 4-[(4-bromo-1H-benzimidazol-2-yl)methyl]benzoic acid (CID 175326506) is 4-[(4-bromo-1H-benzimidazol-2-yl)methyl]benzoic acid.
What is the SMILES notation for 4-[(4-bromo-1H-benzimidazol-2-yl)methyl]benzoic acid?
The canonical SMILES for 4-[(4-bromo-1H-benzimidazol-2-yl)methyl]benzoic acid is O=C(O)c1ccc(Cc2nc3c(Br)cccc3[nH]2)cc1.
What is the InChIKey of 4-[(4-bromo-1H-benzimidazol-2-yl)methyl]benzoic acid?
The InChIKey is BLCRBNOLGJJGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O2/c16-11-2-1-3-12-14(11)18-13(17-12)8-9-4-6-10(7-5-9)15(19)20/h1-7H,8H2,(H,17,18)(H,19,20).
What are the key properties of 4-[(4-bromo-1H-benzimidazol-2-yl)methyl]benzoic acid?
4-[(4-bromo-1H-benzimidazol-2-yl)methyl]benzoic acid has a molecular weight of 331.17 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromo-1H-benzimidazol-2-yl)methyl]benzoic acid is sourced from PubChem (CID 175326506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).