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

C15H12N2O2 — CID 619876

IUPAC2-(2-phenylbenzimidazol-1-yl)acetic acid
SMILESO=C(O)Cn1c(-c2ccccc2)nc2ccccc21
InChIInChI=1S/C15H12N2O2/c18-14(19)10-17-13-9-5-4-8-12(13)16-15(17)11-6-2-1-3-7-11/h1-9H,10H2,(H,18,19)
InChIKeyYIZCZAATUVLJSG-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.79
Rot. Bonds3

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

2-(2-phenylbenzimidazol-1-yl)acetic acid (PubChem CID 619876) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-(2-phenylbenzimidazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2-phenylbenzimidazol-1-yl)acetic acid
PubChem CID619876
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name2-(2-phenylbenzimidazol-1-yl)acetic acid
SMILESO=C(O)Cn1c(-c2ccccc2)nc2ccccc21
InChIInChI=1S/C15H12N2O2/c18-14(19)10-17-13-9-5-4-8-12(13)16-15(17)11-6-2-1-3-7-11/h1-9H,10H2,(H,18,19)
InChIKeyYIZCZAATUVLJSG-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(furan-3-yl)benzimidazol-1-yl]acetic acid
CID 43349125
2-[2-(4-nitrophenyl)benzimidazol-1-yl]acetic acid
CID 82144952
2-[2-(1H-pyrazol-4-yl)benzimidazol-1-yl]acetic acid
CID 63078726
2-[2-(2-methyl-4-pyridinyl)benzimidazol-1-yl]acetic acid
CID 106753326
2-[2-[4-(3,5-dimethylphenoxy)phenyl]benzimidazol-1-yl]acetic acid
CID 22683212
2-(2-methylbenzimidazol-1-yl)acetic acid
CID 75530217
2-[2-(2-methylphenyl)benzimidazol-1-yl]acetic acid
CID 43349122
N-ethyl-2-(2-phenylbenzimidazol-1-yl)acetamide
CID 17032718
2-(2-phenylbenzimidazol-1-yl)-N-propan-2-ylacetamide
CID 17032674
2-[2-(4-bromo-3-chlorophenyl)benzimidazol-1-yl]acetic acid
CID 81291998
2-[2-[4-(2-methoxyphenoxy)phenyl]benzimidazol-1-yl]acetic acid
CID 22683022
2-[2-(5-methylthiophen-2-yl)benzimidazol-1-yl]acetic acid
CID 43168780

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylbenzimidazol-1-yl)acetic acid?
The IUPAC name of 2-(2-phenylbenzimidazol-1-yl)acetic acid (CID 619876) is 2-(2-phenylbenzimidazol-1-yl)acetic acid.
What is the SMILES notation for 2-(2-phenylbenzimidazol-1-yl)acetic acid?
The canonical SMILES for 2-(2-phenylbenzimidazol-1-yl)acetic acid is O=C(O)Cn1c(-c2ccccc2)nc2ccccc21.
What is the InChIKey of 2-(2-phenylbenzimidazol-1-yl)acetic acid?
The InChIKey is YIZCZAATUVLJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c18-14(19)10-17-13-9-5-4-8-12(13)16-15(17)11-6-2-1-3-7-11/h1-9H,10H2,(H,18,19).
What are the key properties of 2-(2-phenylbenzimidazol-1-yl)acetic acid?
2-(2-phenylbenzimidazol-1-yl)acetic acid has a molecular weight of 252.27 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylbenzimidazol-1-yl)acetic acid is sourced from PubChem (CID 619876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).