6-(2-cyano-4-pyridinyl)-1-(5-fluoroquinolin-4-yl)-2-methylbenzimidazole-4-carboxylic acid

C24H14FN5O2 — CID 134362617

IUPAC6-(2-cyano-4-pyridinyl)-1-(5-fluoroquinolin-4-yl)-2-methylbenzimidazole-4-carboxylic acid
SMILESCc1nc2c(C(=O)O)cc(-c3ccnc(C#N)c3)cc2n1-c1ccnc2cccc(F)c12
InChIInChI=1S/C24H14FN5O2/c1-13-29-23-17(24(31)32)10-15(14-5-7-27-16(9-14)12-26)11-21(23)30(13)20-6-8-28-19-4-2-3-18(25)22(19)20/h2-11H,1H3,(H,31,32)
InChIKeyLSUPDFRNSAJJAI-UHFFFAOYSA-N
MW423.41 g/mol
LogP4.65
Rot. Bonds3

About 6-(2-cyano-4-pyridinyl)-1-(5-fluoroquinolin-4-yl)-2-methylbenzimidazole-4-carboxylic acid

6-(2-cyano-4-pyridinyl)-1-(5-fluoroquinolin-4-yl)-2-methylbenzimidazole-4-carboxylic acid (PubChem CID 134362617) has the molecular formula C24H14FN5O2 and a molecular weight of 423.41 g/mol. Its IUPAC name is 6-(2-cyano-4-pyridinyl)-1-(5-fluoroquinolin-4-yl)-2-methylbenzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name6-(2-cyano-4-pyridinyl)-1-(5-fluoroquinolin-4-yl)-2-methylbenzimidazole-4-carboxylic acid
PubChem CID134362617
Molecular FormulaC24H14FN5O2
Molecular Weight423.41 g/mol
Exact Mass423.11
IUPAC Name6-(2-cyano-4-pyridinyl)-1-(5-fluoroquinolin-4-yl)-2-methylbenzimidazole-4-carboxylic acid
SMILESCc1nc2c(C(=O)O)cc(-c3ccnc(C#N)c3)cc2n1-c1ccnc2cccc(F)c12
InChIInChI=1S/C24H14FN5O2/c1-13-29-23-17(24(31)32)10-15(14-5-7-27-16(9-14)12-26)11-21(23)30(13)20-6-8-28-19-4-2-3-18(25)22(19)20/h2-11H,1H3,(H,31,32)
InChIKeyLSUPDFRNSAJJAI-UHFFFAOYSA-N
XLogP4.65
TPSA104.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.41
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(2-cyano-4-pyridinyl)-1-(5-fluoroquinolin-4-yl)-2-methylbenzimidazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyano-4-pyridinyl)-1-(5-fluoroquinolin-4-yl)-2-methylbenzimidazole-4-carboxylic acid?
The IUPAC name of 6-(2-cyano-4-pyridinyl)-1-(5-fluoroquinolin-4-yl)-2-methylbenzimidazole-4-carboxylic acid (CID 134362617) is 6-(2-cyano-4-pyridinyl)-1-(5-fluoroquinolin-4-yl)-2-methylbenzimidazole-4-carboxylic acid.
What is the SMILES notation for 6-(2-cyano-4-pyridinyl)-1-(5-fluoroquinolin-4-yl)-2-methylbenzimidazole-4-carboxylic acid?
The canonical SMILES for 6-(2-cyano-4-pyridinyl)-1-(5-fluoroquinolin-4-yl)-2-methylbenzimidazole-4-carboxylic acid is Cc1nc2c(C(=O)O)cc(-c3ccnc(C#N)c3)cc2n1-c1ccnc2cccc(F)c12.
What is the InChIKey of 6-(2-cyano-4-pyridinyl)-1-(5-fluoroquinolin-4-yl)-2-methylbenzimidazole-4-carboxylic acid?
The InChIKey is LSUPDFRNSAJJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14FN5O2/c1-13-29-23-17(24(31)32)10-15(14-5-7-27-16(9-14)12-26)11-21(23)30(13)20-6-8-28-19-4-2-3-18(25)22(19)20/h2-11H,1H3,(H,31,32).
What are the key properties of 6-(2-cyano-4-pyridinyl)-1-(5-fluoroquinolin-4-yl)-2-methylbenzimidazole-4-carboxylic acid?
6-(2-cyano-4-pyridinyl)-1-(5-fluoroquinolin-4-yl)-2-methylbenzimidazole-4-carboxylic acid has a molecular weight of 423.41 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyano-4-pyridinyl)-1-(5-fluoroquinolin-4-yl)-2-methylbenzimidazole-4-carboxylic acid is sourced from PubChem (CID 134362617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).