6-benzyl-1H-benzimidazole-2-carboxylic acid

C15H12N2O2 — CID 76845904

IUPAC6-benzyl-1H-benzimidazole-2-carboxylic acid
SMILESO=C(O)c1nc2ccc(Cc3ccccc3)cc2[nH]1
InChIInChI=1S/C15H12N2O2/c18-15(19)14-16-12-7-6-11(9-13(12)17-14)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,16,17)(H,18,19)
InChIKeyKXZVSSHFKSNGSQ-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.85
Rot. Bonds3

About 6-benzyl-1H-benzimidazole-2-carboxylic acid

6-benzyl-1H-benzimidazole-2-carboxylic acid (PubChem CID 76845904) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 6-benzyl-1H-benzimidazole-2-carboxylic acid.

Molecular Properties

Compound Name6-benzyl-1H-benzimidazole-2-carboxylic acid
PubChem CID76845904
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name6-benzyl-1H-benzimidazole-2-carboxylic acid
SMILESO=C(O)c1nc2ccc(Cc3ccccc3)cc2[nH]1
InChIInChI=1S/C15H12N2O2/c18-15(19)14-16-12-7-6-11(9-13(12)17-14)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,16,17)(H,18,19)
InChIKeyKXZVSSHFKSNGSQ-UHFFFAOYSA-N
XLogP2.85
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

S-(6-benzyl-1H-benzimidazol-2-yl) ethanethioate
CID 21269543
2-(6-benzyl-1H-benzimidazole-2-carbonyl)-N-methylpyrimidine-5-carboxamide
CID 142166594
4-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzoic acid
CID 116927206
1H-benzimidazole-2-carboxylic acid;cadmium
CID 174957595
[6-(pyridin-3-ylmethyl)-1H-benzimidazol-2-yl] hydrogen carbonate
CID 70472758
2-[[4-[6-[[2-[4-[(2-carboxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]methyl]-1H-benzimidazol-2-yl]phenyl]carbamoyl]benzoic acid
CID 10305749
[6-[(2-hydroxyphenyl)methyl]-1H-benzimidazol-2-yl]carbamic acid
CID 67736355
(6-hydroxy-1H-benzimidazol-2-yl)-phenylmethanone
CID 13162244
2-amino-N-[(3R,5S)-5-(6-benzyl-1H-benzimidazol-2-yl)pyrrolidin-3-yl]acetamide
CID 57068772
2-[(4-aminophenyl)methyl]-3H-benzimidazole-5-carboxylic acid;dihydrochloride
CID 44630860
methyl 2-benzyl-3H-benzimidazole-5-carboxylate
CID 4915686
2-[(4-aminophenyl)methyl]-3H-benzimidazole-5-carboxylic acid dichloride
CID 43829287

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-1H-benzimidazole-2-carboxylic acid?
The IUPAC name of 6-benzyl-1H-benzimidazole-2-carboxylic acid (CID 76845904) is 6-benzyl-1H-benzimidazole-2-carboxylic acid.
What is the SMILES notation for 6-benzyl-1H-benzimidazole-2-carboxylic acid?
The canonical SMILES for 6-benzyl-1H-benzimidazole-2-carboxylic acid is O=C(O)c1nc2ccc(Cc3ccccc3)cc2[nH]1.
What is the InChIKey of 6-benzyl-1H-benzimidazole-2-carboxylic acid?
The InChIKey is KXZVSSHFKSNGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c18-15(19)14-16-12-7-6-11(9-13(12)17-14)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,16,17)(H,18,19).
What are the key properties of 6-benzyl-1H-benzimidazole-2-carboxylic acid?
6-benzyl-1H-benzimidazole-2-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-1H-benzimidazole-2-carboxylic acid is sourced from PubChem (CID 76845904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).