2-(2-pyridin-3-yl-4-pyridinyl)-3H-benzimidazole-5-carboxylic acid

C18H12N4O2 — CID 166629181

IUPAC2-(2-pyridin-3-yl-4-pyridinyl)-3H-benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2nc(-c3ccnc(-c4cccnc4)c3)[nH]c2c1
InChIInChI=1S/C18H12N4O2/c23-18(24)12-3-4-14-16(9-12)22-17(21-14)11-5-7-20-15(8-11)13-2-1-6-19-10-13/h1-10H,(H,21,22)(H,23,24)
InChIKeyROSQGPRIFDRLHF-UHFFFAOYSA-N
MW316.32 g/mol
LogP3.39
Rot. Bonds3

About 2-(2-pyridin-3-yl-4-pyridinyl)-3H-benzimidazole-5-carboxylic acid

2-(2-pyridin-3-yl-4-pyridinyl)-3H-benzimidazole-5-carboxylic acid (PubChem CID 166629181) has the molecular formula C18H12N4O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is 2-(2-pyridin-3-yl-4-pyridinyl)-3H-benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-pyridin-3-yl-4-pyridinyl)-3H-benzimidazole-5-carboxylic acid
PubChem CID166629181
Molecular FormulaC18H12N4O2
Molecular Weight316.32 g/mol
Exact Mass316.10
IUPAC Name2-(2-pyridin-3-yl-4-pyridinyl)-3H-benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2nc(-c3ccnc(-c4cccnc4)c3)[nH]c2c1
InChIInChI=1S/C18H12N4O2/c23-18(24)12-3-4-14-16(9-12)22-17(21-14)11-5-7-20-15(8-11)13-2-1-6-19-10-13/h1-10H,(H,21,22)(H,23,24)
InChIKeyROSQGPRIFDRLHF-UHFFFAOYSA-N
XLogP3.39
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridin-3-yl-4-pyridinyl)-3H-benzimidazole-5-carboxylic acid?
The IUPAC name of 2-(2-pyridin-3-yl-4-pyridinyl)-3H-benzimidazole-5-carboxylic acid (CID 166629181) is 2-(2-pyridin-3-yl-4-pyridinyl)-3H-benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-(2-pyridin-3-yl-4-pyridinyl)-3H-benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-(2-pyridin-3-yl-4-pyridinyl)-3H-benzimidazole-5-carboxylic acid is O=C(O)c1ccc2nc(-c3ccnc(-c4cccnc4)c3)[nH]c2c1.
What is the InChIKey of 2-(2-pyridin-3-yl-4-pyridinyl)-3H-benzimidazole-5-carboxylic acid?
The InChIKey is ROSQGPRIFDRLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4O2/c23-18(24)12-3-4-14-16(9-12)22-17(21-14)11-5-7-20-15(8-11)13-2-1-6-19-10-13/h1-10H,(H,21,22)(H,23,24).
What are the key properties of 2-(2-pyridin-3-yl-4-pyridinyl)-3H-benzimidazole-5-carboxylic acid?
2-(2-pyridin-3-yl-4-pyridinyl)-3H-benzimidazole-5-carboxylic acid has a molecular weight of 316.32 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyridin-3-yl-4-pyridinyl)-3H-benzimidazole-5-carboxylic acid is sourced from PubChem (CID 166629181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).