3-methyl-N-[4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]imidazole-4-carboxamide

C25H18F3N5O — CID 44530858

IUPAC3-methyl-N-[4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]imidazole-4-carboxamide
SMILESCn1cncc1C(=O)Nc1ccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)cc2)cc1
InChIInChI=1S/C25H18F3N5O/c1-33-14-29-13-22(33)24(34)30-19-9-6-16(7-10-19)15-2-4-17(5-3-15)23-31-20-11-8-18(25(26,27)28)12-21(20)32-23/h2-14H,1H3,(H,30,34)(H,31,32)
InChIKeyNQBVFUUMZFBHLS-UHFFFAOYSA-N
MW461.45 g/mol
LogP5.90
Rot. Bonds4

About 3-methyl-N-[4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]imidazole-4-carboxamide

3-methyl-N-[4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]imidazole-4-carboxamide (PubChem CID 44530858) has the molecular formula C25H18F3N5O and a molecular weight of 461.45 g/mol. Its IUPAC name is 3-methyl-N-[4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]imidazole-4-carboxamide
PubChem CID44530858
Molecular FormulaC25H18F3N5O
Molecular Weight461.45 g/mol
Exact Mass461.15
IUPAC Name3-methyl-N-[4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]imidazole-4-carboxamide
SMILESCn1cncc1C(=O)Nc1ccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)cc2)cc1
InChIInChI=1S/C25H18F3N5O/c1-33-14-29-13-22(33)24(34)30-19-9-6-16(7-10-19)15-2-4-17(5-3-15)23-31-20-11-8-18(25(26,27)28)12-21(20)32-23/h2-14H,1H3,(H,30,34)(H,31,32)
InChIKeyNQBVFUUMZFBHLS-UHFFFAOYSA-N
XLogP5.90
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.45
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-methyl-N-[4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]imidazole-4-carboxamide 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-methyl-N-[4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]imidazole-4-carboxamide?
The IUPAC name of 3-methyl-N-[4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]imidazole-4-carboxamide (CID 44530858) is 3-methyl-N-[4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]imidazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-[4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]imidazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-[4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]imidazole-4-carboxamide is Cn1cncc1C(=O)Nc1ccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)cc2)cc1.
What is the InChIKey of 3-methyl-N-[4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]imidazole-4-carboxamide?
The InChIKey is NQBVFUUMZFBHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F3N5O/c1-33-14-29-13-22(33)24(34)30-19-9-6-16(7-10-19)15-2-4-17(5-3-15)23-31-20-11-8-18(25(26,27)28)12-21(20)32-23/h2-14H,1H3,(H,30,34)(H,31,32).
What are the key properties of 3-methyl-N-[4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]imidazole-4-carboxamide?
3-methyl-N-[4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]imidazole-4-carboxamide has a molecular weight of 461.45 g/mol, XLogP of 5.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]imidazole-4-carboxamide is sourced from PubChem (CID 44530858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).