1-phenyl-2-pyridin-2-ylbenzimidazole-5-carboxylic acid

C19H13N3O2 — CID 513902

IUPAC1-phenyl-2-pyridin-2-ylbenzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(-c1ccccn1)n2-c1ccccc1
InChIInChI=1S/C19H13N3O2/c23-19(24)13-9-10-17-16(12-13)21-18(15-8-4-5-11-20-15)22(17)14-6-2-1-3-7-14/h1-12H,(H,23,24)
InChIKeyPJSCHRRNEKWZPW-UHFFFAOYSA-N
MW315.33 g/mol
LogP3.79
Rot. Bonds3

About 1-phenyl-2-pyridin-2-ylbenzimidazole-5-carboxylic acid

1-phenyl-2-pyridin-2-ylbenzimidazole-5-carboxylic acid (PubChem CID 513902) has the molecular formula C19H13N3O2 and a molecular weight of 315.33 g/mol. Its IUPAC name is 1-phenyl-2-pyridin-2-ylbenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-phenyl-2-pyridin-2-ylbenzimidazole-5-carboxylic acid
PubChem CID513902
Molecular FormulaC19H13N3O2
Molecular Weight315.33 g/mol
Exact Mass315.10
IUPAC Name1-phenyl-2-pyridin-2-ylbenzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(-c1ccccn1)n2-c1ccccc1
InChIInChI=1S/C19H13N3O2/c23-19(24)13-9-10-17-16(12-13)21-18(15-8-4-5-11-20-15)22(17)14-6-2-1-3-7-14/h1-12H,(H,23,24)
InChIKeyPJSCHRRNEKWZPW-UHFFFAOYSA-N
XLogP3.79
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-pyridin-2-ylbenzimidazole-5-carboxylic acid?
The IUPAC name of 1-phenyl-2-pyridin-2-ylbenzimidazole-5-carboxylic acid (CID 513902) is 1-phenyl-2-pyridin-2-ylbenzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-phenyl-2-pyridin-2-ylbenzimidazole-5-carboxylic acid?
The canonical SMILES for 1-phenyl-2-pyridin-2-ylbenzimidazole-5-carboxylic acid is O=C(O)c1ccc2c(c1)nc(-c1ccccn1)n2-c1ccccc1.
What is the InChIKey of 1-phenyl-2-pyridin-2-ylbenzimidazole-5-carboxylic acid?
The InChIKey is PJSCHRRNEKWZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O2/c23-19(24)13-9-10-17-16(12-13)21-18(15-8-4-5-11-20-15)22(17)14-6-2-1-3-7-14/h1-12H,(H,23,24).
What are the key properties of 1-phenyl-2-pyridin-2-ylbenzimidazole-5-carboxylic acid?
1-phenyl-2-pyridin-2-ylbenzimidazole-5-carboxylic acid has a molecular weight of 315.33 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-pyridin-2-ylbenzimidazole-5-carboxylic acid is sourced from PubChem (CID 513902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).