3-cyano-N-[3-[2-ethyl-1-methyl-6-(trifluoromethyl)benzimidazol-5-yl]phenyl]benzamide

C25H19F3N4O — CID 175824528

IUPAC3-cyano-N-[3-[2-ethyl-1-methyl-6-(trifluoromethyl)benzimidazol-5-yl]phenyl]benzamide
SMILESCCc1nc2cc(-c3cccc(NC(=O)c4cccc(C#N)c4)c3)c(C(F)(F)F)cc2n1C
InChIInChI=1S/C25H19F3N4O/c1-3-23-31-21-12-19(20(25(26,27)28)13-22(21)32(23)2)16-7-5-9-18(11-16)30-24(33)17-8-4-6-15(10-17)14-29/h4-13H,3H2,1-2H3,(H,30,33)
InChIKeyADWZJEWRBYLUQF-UHFFFAOYSA-N
MW448.45 g/mol
LogP5.95
Rot. Bonds4

About 3-cyano-N-[3-[2-ethyl-1-methyl-6-(trifluoromethyl)benzimidazol-5-yl]phenyl]benzamide

3-cyano-N-[3-[2-ethyl-1-methyl-6-(trifluoromethyl)benzimidazol-5-yl]phenyl]benzamide (PubChem CID 175824528) has the molecular formula C25H19F3N4O and a molecular weight of 448.45 g/mol. Its IUPAC name is 3-cyano-N-[3-[2-ethyl-1-methyl-6-(trifluoromethyl)benzimidazol-5-yl]phenyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[3-[2-ethyl-1-methyl-6-(trifluoromethyl)benzimidazol-5-yl]phenyl]benzamide
PubChem CID175824528
Molecular FormulaC25H19F3N4O
Molecular Weight448.45 g/mol
Exact Mass448.15
IUPAC Name3-cyano-N-[3-[2-ethyl-1-methyl-6-(trifluoromethyl)benzimidazol-5-yl]phenyl]benzamide
SMILESCCc1nc2cc(-c3cccc(NC(=O)c4cccc(C#N)c4)c3)c(C(F)(F)F)cc2n1C
InChIInChI=1S/C25H19F3N4O/c1-3-23-31-21-12-19(20(25(26,27)28)13-22(21)32(23)2)16-7-5-9-18(11-16)30-24(33)17-8-4-6-15(10-17)14-29/h4-13H,3H2,1-2H3,(H,30,33)
InChIKeyADWZJEWRBYLUQF-UHFFFAOYSA-N
XLogP5.95
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.45
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-cyano-N-[3-[2-ethyl-1-methyl-6-(trifluoromethyl)benzimidazol-5-yl]phenyl]benzamide 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 3-cyano-N-[3-[2-ethyl-1-methyl-6-(trifluoromethyl)benzimidazol-5-yl]phenyl]benzamide?
The IUPAC name of 3-cyano-N-[3-[2-ethyl-1-methyl-6-(trifluoromethyl)benzimidazol-5-yl]phenyl]benzamide (CID 175824528) is 3-cyano-N-[3-[2-ethyl-1-methyl-6-(trifluoromethyl)benzimidazol-5-yl]phenyl]benzamide.
What is the SMILES notation for 3-cyano-N-[3-[2-ethyl-1-methyl-6-(trifluoromethyl)benzimidazol-5-yl]phenyl]benzamide?
The canonical SMILES for 3-cyano-N-[3-[2-ethyl-1-methyl-6-(trifluoromethyl)benzimidazol-5-yl]phenyl]benzamide is CCc1nc2cc(-c3cccc(NC(=O)c4cccc(C#N)c4)c3)c(C(F)(F)F)cc2n1C.
What is the InChIKey of 3-cyano-N-[3-[2-ethyl-1-methyl-6-(trifluoromethyl)benzimidazol-5-yl]phenyl]benzamide?
The InChIKey is ADWZJEWRBYLUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N4O/c1-3-23-31-21-12-19(20(25(26,27)28)13-22(21)32(23)2)16-7-5-9-18(11-16)30-24(33)17-8-4-6-15(10-17)14-29/h4-13H,3H2,1-2H3,(H,30,33).
What are the key properties of 3-cyano-N-[3-[2-ethyl-1-methyl-6-(trifluoromethyl)benzimidazol-5-yl]phenyl]benzamide?
3-cyano-N-[3-[2-ethyl-1-methyl-6-(trifluoromethyl)benzimidazol-5-yl]phenyl]benzamide has a molecular weight of 448.45 g/mol, XLogP of 5.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[3-[2-ethyl-1-methyl-6-(trifluoromethyl)benzimidazol-5-yl]phenyl]benzamide is sourced from PubChem (CID 175824528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).