4-((1H-benzo[d]imidazol-2-yl)methyl)benzoic acid

HCID 19023239

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: O=C(O)c1ccc(Cc2nc3ccccc3[nH]2)cc1
InChIKey: DMQOJIVWSXIQDD-UHFFFAOYSA-N
Molecular formula: C15H12N2O2
Average molar mass: 252.27 g/mol
Monoisotopic mass: 252.08987763

Names & identifiers

Preferred name: 4-((1H-benzo[d]imidazol-2-yl)methyl)benzoic acid
IUPAC: 4-(1H-benzimidazol-2-ylmethyl)benzoic acid

Names & synonyms

p-[(2-benzimidazolyl)methyl]benzoic acid4-((1H-benzo[d]imidazol-2-yl)methyl)benzoic acidSCHEMBL2881710DMQOJIVWSXIQDD-UHFFFAOYSA-N

Database identifiers

PubChem CID: 19023239

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 66 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 19
Formal charge: 0
Complexity: 326

Related reactions

9 records

New reaction record

HRID 150235As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 155722As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 214739As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 831065As productTest data from https://doi.org/10.1039/C8SC04228D

HRID 1163084As productuspto-grants-2010_10

HRID 1163085As reactantuspto-grants-2010_10

HRID 1163091As productuspto-grants-2010_10

HRID 1163092As reactantuspto-grants-2010_10

Compound notes

Loading…