2-[2-(2-methyl-4-pyridinyl)benzimidazol-1-yl]acetic acid

C15H13N3O2 — CID 106753326

IUPAC2-[2-(2-methyl-4-pyridinyl)benzimidazol-1-yl]acetic acid
SMILESCc1cc(-c2nc3ccccc3n2CC(=O)O)ccn1
InChIInChI=1S/C15H13N3O2/c1-10-8-11(6-7-16-10)15-17-12-4-2-3-5-13(12)18(15)9-14(19)20/h2-8H,9H2,1H3,(H,19,20)
InChIKeyFDRPOEOMEDMUIQ-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.49
Rot. Bonds3

About 2-[2-(2-methyl-4-pyridinyl)benzimidazol-1-yl]acetic acid

2-[2-(2-methyl-4-pyridinyl)benzimidazol-1-yl]acetic acid (PubChem CID 106753326) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-[2-(2-methyl-4-pyridinyl)benzimidazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2-methyl-4-pyridinyl)benzimidazol-1-yl]acetic acid
PubChem CID106753326
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name2-[2-(2-methyl-4-pyridinyl)benzimidazol-1-yl]acetic acid
SMILESCc1cc(-c2nc3ccccc3n2CC(=O)O)ccn1
InChIInChI=1S/C15H13N3O2/c1-10-8-11(6-7-16-10)15-17-12-4-2-3-5-13(12)18(15)9-14(19)20/h2-8H,9H2,1H3,(H,19,20)
InChIKeyFDRPOEOMEDMUIQ-UHFFFAOYSA-N
XLogP2.49
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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2-[2-(4-bromo-3-chlorophenyl)benzimidazol-1-yl]acetic acid
CID 81291998
2-(2-methylbenzimidazol-1-yl)acetic acid
CID 75530217
2-[2-(1-methylimidazol-4-yl)benzimidazol-1-yl]acetic acid
CID 114022725
2-[2-(2-methylphenyl)benzimidazol-1-yl]acetic acid
CID 43349122
2-[2-[4-(3,5-dimethylphenoxy)phenyl]benzimidazol-1-yl]acetic acid
CID 22683212
2-[2-(3-ethoxy-4-propoxyphenyl)benzimidazol-1-yl]acetic acid
CID 22684801
2-[2-[3-[2-(dimethylamino)ethoxy]phenyl]benzimidazol-1-yl]acetic acid
CID 20984118
2-[2-(4-butoxy-3-methoxyphenyl)benzimidazol-1-yl]acetic acid
CID 20993202
2-[2-(1H-pyrazol-4-yl)benzimidazol-1-yl]acetic acid
CID 63078726

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methyl-4-pyridinyl)benzimidazol-1-yl]acetic acid?
The IUPAC name of 2-[2-(2-methyl-4-pyridinyl)benzimidazol-1-yl]acetic acid (CID 106753326) is 2-[2-(2-methyl-4-pyridinyl)benzimidazol-1-yl]acetic acid.
What is the SMILES notation for 2-[2-(2-methyl-4-pyridinyl)benzimidazol-1-yl]acetic acid?
The canonical SMILES for 2-[2-(2-methyl-4-pyridinyl)benzimidazol-1-yl]acetic acid is Cc1cc(-c2nc3ccccc3n2CC(=O)O)ccn1.
What is the InChIKey of 2-[2-(2-methyl-4-pyridinyl)benzimidazol-1-yl]acetic acid?
The InChIKey is FDRPOEOMEDMUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-10-8-11(6-7-16-10)15-17-12-4-2-3-5-13(12)18(15)9-14(19)20/h2-8H,9H2,1H3,(H,19,20).
What are the key properties of 2-[2-(2-methyl-4-pyridinyl)benzimidazol-1-yl]acetic acid?
2-[2-(2-methyl-4-pyridinyl)benzimidazol-1-yl]acetic acid has a molecular weight of 267.29 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methyl-4-pyridinyl)benzimidazol-1-yl]acetic acid is sourced from PubChem (CID 106753326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).