2-(1-phenylbenzimidazol-2-yl)acetic acid

C15H12N2O2 — CID 61271443

IUPAC2-(1-phenylbenzimidazol-2-yl)acetic acid
SMILESO=C(O)Cc1nc2ccccc2n1-c1ccccc1
InChIInChI=1S/C15H12N2O2/c18-15(19)10-14-16-12-8-4-5-9-13(12)17(14)11-6-2-1-3-7-11/h1-9H,10H2,(H,18,19)
InChIKeyMNHJVTSSYPPLEW-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.65
Rot. Bonds3

About 2-(1-phenylbenzimidazol-2-yl)acetic acid

2-(1-phenylbenzimidazol-2-yl)acetic acid (PubChem CID 61271443) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-(1-phenylbenzimidazol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(1-phenylbenzimidazol-2-yl)acetic acid
PubChem CID61271443
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name2-(1-phenylbenzimidazol-2-yl)acetic acid
SMILESO=C(O)Cc1nc2ccccc2n1-c1ccccc1
InChIInChI=1S/C15H12N2O2/c18-15(19)10-14-16-12-8-4-5-9-13(12)17(14)11-6-2-1-3-7-11/h1-9H,10H2,(H,18,19)
InChIKeyMNHJVTSSYPPLEW-UHFFFAOYSA-N
XLogP2.65
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1-phenylbenzimidazol-2-yl)acetic 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

N-hydroxy-2-(1-phenylbenzimidazol-2-yl)acetamide
CID 3049623
6-(1-phenylbenzimidazol-2-yl)hexanoic acid
CID 18979139
2-(chloromethyl)-1-phenylbenzimidazole;hydrochloride
CID 53407605
2-(1-methylsulfonylbenzimidazol-2-yl)acetic acid
CID 35753617
2-[ethyl-[3-(1-phenylbenzimidazol-2-yl)propanoyl]amino]acetic acid
CID 119206156
3-[3-(1-phenylbenzimidazol-2-yl)propanoylamino]butanoic acid
CID 119221124
N-(3-hydroxypropyl)-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 78796237
1-phenyl-2-(1-phenylbenzimidazol-2-yl)benzimidazole
CID 44622931
1-phenyl-2-tridecylbenzimidazole
CID 24821367
(3R)-1-[3-(1-phenylbenzimidazol-2-yl)propanoyl]pyrrolidine-3-carboxylic acid
CID 125134380
N-(1-hydroxypropan-2-yl)-N-methyl-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 109388365
1-phenyl-3-[3-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea
CID 46382224

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylbenzimidazol-2-yl)acetic acid?
The IUPAC name of 2-(1-phenylbenzimidazol-2-yl)acetic acid (CID 61271443) is 2-(1-phenylbenzimidazol-2-yl)acetic acid.
What is the SMILES notation for 2-(1-phenylbenzimidazol-2-yl)acetic acid?
The canonical SMILES for 2-(1-phenylbenzimidazol-2-yl)acetic acid is O=C(O)Cc1nc2ccccc2n1-c1ccccc1.
What is the InChIKey of 2-(1-phenylbenzimidazol-2-yl)acetic acid?
The InChIKey is MNHJVTSSYPPLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c18-15(19)10-14-16-12-8-4-5-9-13(12)17(14)11-6-2-1-3-7-11/h1-9H,10H2,(H,18,19).
What are the key properties of 2-(1-phenylbenzimidazol-2-yl)acetic acid?
2-(1-phenylbenzimidazol-2-yl)acetic acid has a molecular weight of 252.27 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylbenzimidazol-2-yl)acetic acid is sourced from PubChem (CID 61271443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).