6-methyl-2-oxo-4-[2-(trifluoromethyl)-1H-benzimidazol-4-yl]-1H-pyridine-3-carbonitrile

C15H9F3N4O — CID 168585547

IUPAC6-methyl-2-oxo-4-[2-(trifluoromethyl)-1H-benzimidazol-4-yl]-1H-pyridine-3-carbonitrile
SMILESCc1cc(-c2cccc3[nH]c(C(F)(F)F)nc23)c(C#N)c(=O)[nH]1
InChIInChI=1S/C15H9F3N4O/c1-7-5-9(10(6-19)13(23)20-7)8-3-2-4-11-12(8)22-14(21-11)15(16,17)18/h2-5H,1H3,(H,20,23)(H,21,22)
InChIKeyRDEQTHNZEDFYIU-UHFFFAOYSA-N
MW318.26 g/mol
LogP3.12
Rot. Bonds1

About 6-methyl-2-oxo-4-[2-(trifluoromethyl)-1H-benzimidazol-4-yl]-1H-pyridine-3-carbonitrile

6-methyl-2-oxo-4-[2-(trifluoromethyl)-1H-benzimidazol-4-yl]-1H-pyridine-3-carbonitrile (PubChem CID 168585547) has the molecular formula C15H9F3N4O and a molecular weight of 318.26 g/mol. Its IUPAC name is 6-methyl-2-oxo-4-[2-(trifluoromethyl)-1H-benzimidazol-4-yl]-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-oxo-4-[2-(trifluoromethyl)-1H-benzimidazol-4-yl]-1H-pyridine-3-carbonitrile
PubChem CID168585547
Molecular FormulaC15H9F3N4O
Molecular Weight318.26 g/mol
Exact Mass318.07
IUPAC Name6-methyl-2-oxo-4-[2-(trifluoromethyl)-1H-benzimidazol-4-yl]-1H-pyridine-3-carbonitrile
SMILESCc1cc(-c2cccc3[nH]c(C(F)(F)F)nc23)c(C#N)c(=O)[nH]1
InChIInChI=1S/C15H9F3N4O/c1-7-5-9(10(6-19)13(23)20-7)8-3-2-4-11-12(8)22-14(21-11)15(16,17)18/h2-5H,1H3,(H,20,23)(H,21,22)
InChIKeyRDEQTHNZEDFYIU-UHFFFAOYSA-N
XLogP3.12
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.26
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-methyl-2-oxo-4-[2-(trifluoromethyl)-1H-benzimidazol-4-yl]-1H-pyridine-3-carbonitrile with MolForge

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

Launch Full Analysis

Related Compounds

6-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile
CID 168584507
4-[2-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586809
4-(3-chloro-2-fluorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584512
6-methyl-2-oxo-4-[2-[4-(trifluoromethyl)phenyl]phenyl]-1H-pyridine-3-carbonitrile
CID 168585170
6-methyl-2-oxo-4-[2-(1,1,2,2,2-pentafluoroethyl)phenyl]-1H-pyridine-3-carbonitrile
CID 168585449
4-[4-iodo-2-(trifluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585845
4-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586078
6-methyl-4-[2-(4-methylphenyl)phenyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 168584676
4-[2,4-difluoro-5-(trifluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585524
4-[3-(bromomethyl)-2-fluorophenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585480
4-[2-iodo-6-(trifluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585839
4-[2-(difluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585529

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-oxo-4-[2-(trifluoromethyl)-1H-benzimidazol-4-yl]-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-methyl-2-oxo-4-[2-(trifluoromethyl)-1H-benzimidazol-4-yl]-1H-pyridine-3-carbonitrile (CID 168585547) is 6-methyl-2-oxo-4-[2-(trifluoromethyl)-1H-benzimidazol-4-yl]-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-methyl-2-oxo-4-[2-(trifluoromethyl)-1H-benzimidazol-4-yl]-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-methyl-2-oxo-4-[2-(trifluoromethyl)-1H-benzimidazol-4-yl]-1H-pyridine-3-carbonitrile is Cc1cc(-c2cccc3[nH]c(C(F)(F)F)nc23)c(C#N)c(=O)[nH]1.
What is the InChIKey of 6-methyl-2-oxo-4-[2-(trifluoromethyl)-1H-benzimidazol-4-yl]-1H-pyridine-3-carbonitrile?
The InChIKey is RDEQTHNZEDFYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N4O/c1-7-5-9(10(6-19)13(23)20-7)8-3-2-4-11-12(8)22-14(21-11)15(16,17)18/h2-5H,1H3,(H,20,23)(H,21,22).
What are the key properties of 6-methyl-2-oxo-4-[2-(trifluoromethyl)-1H-benzimidazol-4-yl]-1H-pyridine-3-carbonitrile?
6-methyl-2-oxo-4-[2-(trifluoromethyl)-1H-benzimidazol-4-yl]-1H-pyridine-3-carbonitrile has a molecular weight of 318.26 g/mol, XLogP of 3.12, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-oxo-4-[2-(trifluoromethyl)-1H-benzimidazol-4-yl]-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 168585547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).