2-[2-(3H-imidazo[4,5-c]pyridin-2-yl)ethyl]benzoic acid

C15H13N3O2 — CID 117166789

IUPAC2-[2-(3H-imidazo[4,5-c]pyridin-2-yl)ethyl]benzoic acid
SMILESO=C(O)c1ccccc1CCc1nc2ccncc2[nH]1
InChIInChI=1S/C15H13N3O2/c19-15(20)11-4-2-1-3-10(11)5-6-14-17-12-7-8-16-9-13(12)18-14/h1-4,7-9H,5-6H2,(H,17,18)(H,19,20)
InChIKeyFUDIPUHEVGXESY-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.44
Rot. Bonds4

About 2-[2-(3H-imidazo[4,5-c]pyridin-2-yl)ethyl]benzoic acid

2-[2-(3H-imidazo[4,5-c]pyridin-2-yl)ethyl]benzoic acid (PubChem CID 117166789) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-[2-(3H-imidazo[4,5-c]pyridin-2-yl)ethyl]benzoic acid.

Molecular Properties

Compound Name2-[2-(3H-imidazo[4,5-c]pyridin-2-yl)ethyl]benzoic acid
PubChem CID117166789
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name2-[2-(3H-imidazo[4,5-c]pyridin-2-yl)ethyl]benzoic acid
SMILESO=C(O)c1ccccc1CCc1nc2ccncc2[nH]1
InChIInChI=1S/C15H13N3O2/c19-15(20)11-4-2-1-3-10(11)5-6-14-17-12-7-8-16-9-13(12)18-14/h1-4,7-9H,5-6H2,(H,17,18)(H,19,20)
InChIKeyFUDIPUHEVGXESY-UHFFFAOYSA-N
XLogP2.44
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(1H-benzimidazol-2-yl)ethyl]benzamide
CID 173161796
2-[(2-fluorophenyl)methyl]-3H-imidazo[4,5-c]pyridine
CID 63268921
2-ethyl-2-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)butanoic acid
CID 63268200
4-(3H-imidazo[4,5-c]pyridin-2-yl)-3,3-dimethylbutanoic acid
CID 63268203
3-(3H-imidazo[4,5-c]pyridin-2-yl)-N-methylpropan-1-amine
CID 63268455
2-(1H-benzimidazol-2-ylsulfanylmethyl)benzoic acid
CID 2484010
2-[[2-(2-phenylethyl)-1H-benzimidazol-4-yl]methoxymethyl]benzoic acid
CID 57211067
5-fluoro-2-hydroxy-4-(3H-imidazo[4,5-c]pyridin-2-yl)benzoic acid
CID 162531071
2-(2-cyclopentylethyl)-3H-imidazo[4,5-c]pyridine
CID 63268959
2-[(2-ethyl-3H-benzimidazol-5-yl)oxymethyl]benzoic acid
CID 84816254
2-[(3R,4S)-3-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-1-(2-phenylacetyl)piperidin-4-yl]acetic acid
CID 125417903
2-[2-(isoquinolin-8-ylamino)-2-oxoethyl]benzoic acid
CID 11779892

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3H-imidazo[4,5-c]pyridin-2-yl)ethyl]benzoic acid?
The IUPAC name of 2-[2-(3H-imidazo[4,5-c]pyridin-2-yl)ethyl]benzoic acid (CID 117166789) is 2-[2-(3H-imidazo[4,5-c]pyridin-2-yl)ethyl]benzoic acid.
What is the SMILES notation for 2-[2-(3H-imidazo[4,5-c]pyridin-2-yl)ethyl]benzoic acid?
The canonical SMILES for 2-[2-(3H-imidazo[4,5-c]pyridin-2-yl)ethyl]benzoic acid is O=C(O)c1ccccc1CCc1nc2ccncc2[nH]1.
What is the InChIKey of 2-[2-(3H-imidazo[4,5-c]pyridin-2-yl)ethyl]benzoic acid?
The InChIKey is FUDIPUHEVGXESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c19-15(20)11-4-2-1-3-10(11)5-6-14-17-12-7-8-16-9-13(12)18-14/h1-4,7-9H,5-6H2,(H,17,18)(H,19,20).
What are the key properties of 2-[2-(3H-imidazo[4,5-c]pyridin-2-yl)ethyl]benzoic acid?
2-[2-(3H-imidazo[4,5-c]pyridin-2-yl)ethyl]benzoic acid has a molecular weight of 267.29 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3H-imidazo[4,5-c]pyridin-2-yl)ethyl]benzoic acid is sourced from PubChem (CID 117166789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).