N-(3-chloro-2-methylphenyl)-2-(2,2-dimethylpropyl)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide

C28H26ClF3N4O2 — CID 71267494

About N-(3-chloro-2-methylphenyl)-2-(2,2-dimethylpropyl)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide

N-(3-chloro-2-methylphenyl)-2-(2,2-dimethylpropyl)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide (PubChem CID 71267494) has the molecular formula C28H26ClF3N4O2 and a molecular weight of 542.99 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-(2,2-dimethylpropyl)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide.

Molecular Properties

• Compound Name: N-(3-chloro-2-methylphenyl)-2-(2,2-dimethylpropyl)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide
• PubChem CID: 71267494
• Molecular Formula: C28H26ClF3N4O2
• Molecular Weight: 542.99 g/mol
• Exact Mass: 542.17
• IUPAC Name: N-(3-chloro-2-methylphenyl)-2-(2,2-dimethylpropyl)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide
• SMILES: Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(CC(C)(C)C)nc12
• InChI: InChI=1S/C28H26ClF3N4O2/c1-15-20(29)10-7-11-21(15)35-26(38)18-12-16(13-22-24(18)36-23(34-22)14-27(2,3)4)33-25(37)17-8-5-6-9-19(17)28(30,31)32/h5-13H,14H2,1-4H3,(H,33,37)(H,34,36)(H,35,38)
• InChIKey: ITZDHYWHBPKAQF-UHFFFAOYSA-N
• XLogP: 7.64
• TPSA: 86.88 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	542.99
LogP ≤ 5	7.64
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-(2,2-dimethylpropyl)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide?

The IUPAC name of N-(3-chloro-2-methylphenyl)-2-(2,2-dimethylpropyl)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide (CID 71267494) is N-(3-chloro-2-methylphenyl)-2-(2,2-dimethylpropyl)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide.

What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-(2,2-dimethylpropyl)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide?

The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-(2,2-dimethylpropyl)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide is Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(CC(C)(C)C)nc12.

What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-(2,2-dimethylpropyl)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide?

The InChIKey is ITZDHYWHBPKAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26ClF3N4O2/c1-15-20(29)10-7-11-21(15)35-26(38)18-12-16(13-22-24(18)36-23(34-22)14-27(2,3)4)33-25(37)17-8-5-6-9-19(17)28(30,31)32/h5-13H,14H2,1-4H3,(H,33,37)(H,34,36)(H,35,38).

What are the key properties of N-(3-chloro-2-methylphenyl)-2-(2,2-dimethylpropyl)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide?

N-(3-chloro-2-methylphenyl)-2-(2,2-dimethylpropyl)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide has a molecular weight of 542.99 g/mol, XLogP of 7.64, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chloro-2-methylphenyl)-2-(2,2-dimethylpropyl)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 71267494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).