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

C19H13N3O2 — CID 71213014

IUPAC4-[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]benzoic acid
SMILESO=C(O)c1ccc(-c2ccc(-c3nc4ccncc4[nH]3)cc2)cc1
InChIInChI=1S/C19H13N3O2/c23-19(24)15-7-3-13(4-8-15)12-1-5-14(6-2-12)18-21-16-9-10-20-11-17(16)22-18/h1-11H,(H,21,22)(H,23,24)
InChIKeyWOTZMYCDVIDVDM-UHFFFAOYSA-N
MW315.33 g/mol
LogP3.99
Rot. Bonds3

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

4-[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]benzoic acid (PubChem CID 71213014) has the molecular formula C19H13N3O2 and a molecular weight of 315.33 g/mol. Its IUPAC name is 4-[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]benzoic acid.

Molecular Properties

Compound Name4-[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]benzoic acid
PubChem CID71213014
Molecular FormulaC19H13N3O2
Molecular Weight315.33 g/mol
Exact Mass315.10
IUPAC Name4-[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]benzoic acid
SMILESO=C(O)c1ccc(-c2ccc(-c3nc4ccncc4[nH]3)cc2)cc1
InChIInChI=1S/C19H13N3O2/c23-19(24)15-7-3-13(4-8-15)12-1-5-14(6-2-12)18-21-16-9-10-20-11-17(16)22-18/h1-11H,(H,21,22)(H,23,24)
InChIKeyWOTZMYCDVIDVDM-UHFFFAOYSA-N
XLogP3.99
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[6-[2-(4-carboxyphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoic acid
CID 1211927
2-pyridin-4-yl-3H-benzimidazole-5-carboxylic acid
CID 2771800
4-(6-amino-1H-benzimidazol-2-yl)benzoic acid;dihydrochloride
CID 17385553
2-(4-hydroxyphenyl)-3H-benzimidazole-5-carboxylic acid
CID 162148176
2-[4-(3H-imidazo[4,5-c]pyridin-2-yl)anilino]ethanol
CID 63268630
2-(4-aminophenyl)-3H-benzimidazole-5-carboxylic acid
CID 774873
methyl 2-[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]sulfinylacetate
CID 19821986
5-chloro-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]thiophene-3-carboxamide
CID 155963164
2-[4-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxylic acid
CID 22097796
methyl 3-[3-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]benzoate
CID 100957972
5-fluoro-2-hydroxy-4-(3H-imidazo[4,5-c]pyridin-2-yl)benzoic acid
CID 162531071
2-(6-bromonaphthalen-2-yl)-3H-imidazo[4,5-c]pyridine
CID 115354156

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]benzoic acid?
The IUPAC name of 4-[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]benzoic acid (CID 71213014) is 4-[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]benzoic acid.
What is the SMILES notation for 4-[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]benzoic acid?
The canonical SMILES for 4-[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]benzoic acid is O=C(O)c1ccc(-c2ccc(-c3nc4ccncc4[nH]3)cc2)cc1.
What is the InChIKey of 4-[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]benzoic acid?
The InChIKey is WOTZMYCDVIDVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O2/c23-19(24)15-7-3-13(4-8-15)12-1-5-14(6-2-12)18-21-16-9-10-20-11-17(16)22-18/h1-11H,(H,21,22)(H,23,24).
What are the key properties of 4-[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]benzoic acid?
4-[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]benzoic acid has a molecular weight of 315.33 g/mol, XLogP of 3.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]benzoic acid is sourced from PubChem (CID 71213014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).