1-methyl-6-[[2-(trifluoromethyl)benzoyl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-4-carboxamide

C25H18F6N4O2 — CID 71532357

IUPAC1-methyl-6-[[2-(trifluoromethyl)benzoyl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-4-carboxamide
SMILESCn1cnc2c(C(=O)NCc3ccccc3C(F)(F)F)cc(NC(=O)c3ccccc3C(F)(F)F)cc21
InChIInChI=1S/C25H18F6N4O2/c1-35-13-33-21-17(22(36)32-12-14-6-2-4-8-18(14)24(26,27)28)10-15(11-20(21)35)34-23(37)16-7-3-5-9-19(16)25(29,30)31/h2-11,13H,12H2,1H3,(H,32,36)(H,34,37)
InChIKeyGBDHKTHLHKQDGU-UHFFFAOYSA-N
MW520.43 g/mol
LogP5.79
Rot. Bonds5

About 1-methyl-6-[[2-(trifluoromethyl)benzoyl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-4-carboxamide

1-methyl-6-[[2-(trifluoromethyl)benzoyl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-4-carboxamide (PubChem CID 71532357) has the molecular formula C25H18F6N4O2 and a molecular weight of 520.43 g/mol. Its IUPAC name is 1-methyl-6-[[2-(trifluoromethyl)benzoyl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-6-[[2-(trifluoromethyl)benzoyl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-4-carboxamide
PubChem CID71532357
Molecular FormulaC25H18F6N4O2
Molecular Weight520.43 g/mol
Exact Mass520.13
IUPAC Name1-methyl-6-[[2-(trifluoromethyl)benzoyl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-4-carboxamide
SMILESCn1cnc2c(C(=O)NCc3ccccc3C(F)(F)F)cc(NC(=O)c3ccccc3C(F)(F)F)cc21
InChIInChI=1S/C25H18F6N4O2/c1-35-13-33-21-17(22(36)32-12-14-6-2-4-8-18(14)24(26,27)28)10-15(11-20(21)35)34-23(37)16-7-3-5-9-19(16)25(29,30)31/h2-11,13H,12H2,1H3,(H,32,36)(H,34,37)
InChIKeyGBDHKTHLHKQDGU-UHFFFAOYSA-N
XLogP5.79
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.43
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[[2-(trifluoromethyl)benzoyl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-4-carboxamide?
The IUPAC name of 1-methyl-6-[[2-(trifluoromethyl)benzoyl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-4-carboxamide (CID 71532357) is 1-methyl-6-[[2-(trifluoromethyl)benzoyl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-4-carboxamide.
What is the SMILES notation for 1-methyl-6-[[2-(trifluoromethyl)benzoyl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-4-carboxamide?
The canonical SMILES for 1-methyl-6-[[2-(trifluoromethyl)benzoyl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-4-carboxamide is Cn1cnc2c(C(=O)NCc3ccccc3C(F)(F)F)cc(NC(=O)c3ccccc3C(F)(F)F)cc21.
What is the InChIKey of 1-methyl-6-[[2-(trifluoromethyl)benzoyl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-4-carboxamide?
The InChIKey is GBDHKTHLHKQDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F6N4O2/c1-35-13-33-21-17(22(36)32-12-14-6-2-4-8-18(14)24(26,27)28)10-15(11-20(21)35)34-23(37)16-7-3-5-9-19(16)25(29,30)31/h2-11,13H,12H2,1H3,(H,32,36)(H,34,37).
What are the key properties of 1-methyl-6-[[2-(trifluoromethyl)benzoyl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-4-carboxamide?
1-methyl-6-[[2-(trifluoromethyl)benzoyl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-4-carboxamide has a molecular weight of 520.43 g/mol, XLogP of 5.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[[2-(trifluoromethyl)benzoyl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-4-carboxamide is sourced from PubChem (CID 71532357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).