4-[benzimidazol-1-yl(pyridin-2-yl)methyl]benzoic acid

C20H15N3O2 — CID 91555772

IUPAC4-[benzimidazol-1-yl(pyridin-2-yl)methyl]benzoic acid
SMILESO=C(O)c1ccc(C(c2ccccn2)n2cnc3ccccc32)cc1
InChIInChI=1S/C20H15N3O2/c24-20(25)15-10-8-14(9-11-15)19(17-6-3-4-12-21-17)23-13-22-16-5-1-2-7-18(16)23/h1-13,19H,(H,24,25)
InChIKeyMQENSPXXSJLTDJ-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.77
Rot. Bonds4

About 4-[benzimidazol-1-yl(pyridin-2-yl)methyl]benzoic acid

4-[benzimidazol-1-yl(pyridin-2-yl)methyl]benzoic acid (PubChem CID 91555772) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 4-[benzimidazol-1-yl(pyridin-2-yl)methyl]benzoic acid.

Molecular Properties

Compound Name4-[benzimidazol-1-yl(pyridin-2-yl)methyl]benzoic acid
PubChem CID91555772
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC Name4-[benzimidazol-1-yl(pyridin-2-yl)methyl]benzoic acid
SMILESO=C(O)c1ccc(C(c2ccccn2)n2cnc3ccccc32)cc1
InChIInChI=1S/C20H15N3O2/c24-20(25)15-10-8-14(9-11-15)19(17-6-3-4-12-21-17)23-13-22-16-5-1-2-7-18(16)23/h1-13,19H,(H,24,25)
InChIKeyMQENSPXXSJLTDJ-UHFFFAOYSA-N
XLogP3.77
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[benzimidazol-1-yl(pyridin-2-yl)methyl]phenyl]-N-benzyl-2-cycloheptylacetamide
CID 91172603
1-[(4-fluorophenyl)-phenylmethyl]benzimidazole
CID 54576777
4-[methylamino(pyridin-2-yl)methyl]benzoic acid
CID 116953941
1-[phenyl(pyridin-2-yl)methyl]benzotriazole
CID 44890324
3-(benzimidazol-1-yl)-2-methylbutanoic acid
CID 79391700
2-methyl-3-(1-pyridin-2-ylethyl)benzimidazole-5-carboxylic acid
CID 82770584
3-(benzimidazol-1-yl)butanoic acid
CID 6486725
3-fluoro-4-[6-(2-imino-4-oxopentan-3-yl)-1-[phenyl(pyridin-2-yl)methyl]indol-3-yl]benzoic acid
CID 123440160
1-(benzimidazol-1-yl)-3-[(1R)-1-pyridin-2-ylethyl]urea
CID 36524001
4-(benzimidazol-1-yl)-2-methyl-2-(methylamino)pentanoic acid
CID 64703858
N-benzhydryl-2-(benzimidazol-1-yl)propanamide
CID 112781098
(4-carboxyphenoxy)-pyridin-2-ylmethanesulfinate
CID 66852011

Frequently Asked Questions

What is the IUPAC name of 4-[benzimidazol-1-yl(pyridin-2-yl)methyl]benzoic acid?
The IUPAC name of 4-[benzimidazol-1-yl(pyridin-2-yl)methyl]benzoic acid (CID 91555772) is 4-[benzimidazol-1-yl(pyridin-2-yl)methyl]benzoic acid.
What is the SMILES notation for 4-[benzimidazol-1-yl(pyridin-2-yl)methyl]benzoic acid?
The canonical SMILES for 4-[benzimidazol-1-yl(pyridin-2-yl)methyl]benzoic acid is O=C(O)c1ccc(C(c2ccccn2)n2cnc3ccccc32)cc1.
What is the InChIKey of 4-[benzimidazol-1-yl(pyridin-2-yl)methyl]benzoic acid?
The InChIKey is MQENSPXXSJLTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2/c24-20(25)15-10-8-14(9-11-15)19(17-6-3-4-12-21-17)23-13-22-16-5-1-2-7-18(16)23/h1-13,19H,(H,24,25).
What are the key properties of 4-[benzimidazol-1-yl(pyridin-2-yl)methyl]benzoic acid?
4-[benzimidazol-1-yl(pyridin-2-yl)methyl]benzoic acid has a molecular weight of 329.36 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzimidazol-1-yl(pyridin-2-yl)methyl]benzoic acid is sourced from PubChem (CID 91555772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).