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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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).