N-(3-chloro-2-methylphenyl)-2-(1-methylcyclopropyl)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide;toluene

C34H30ClF3N4O2 — CID 156540571

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

N-(3-chloro-2-methylphenyl)-2-(1-methylcyclopropyl)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide;toluene (PubChem CID 156540571) has the molecular formula C34H30ClF3N4O2 and a molecular weight of 619.09 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-(1-methylcyclopropyl)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide;toluene.

Molecular Properties

• Compound Name: N-(3-chloro-2-methylphenyl)-2-(1-methylcyclopropyl)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide;toluene
• PubChem CID: 156540571
• Molecular Formula: C34H30ClF3N4O2
• Molecular Weight: 619.09 g/mol
• Exact Mass: 618.20
• IUPAC Name: N-(3-chloro-2-methylphenyl)-2-(1-methylcyclopropyl)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide;toluene
• SMILES: Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(C3(C)CC3)nc12.Cc1ccccc1
• InChI: InChI=1S/C27H22ClF3N4O2.C7H8/c1-14-19(28)8-5-9-20(14)33-24(37)17-12-15(13-21-22(17)35-25(34-21)26(2)10-11-26)32-23(36)16-6-3-4-7-18(16)27(29,30)31;1-7-5-3-2-4-6-7/h3-9,12-13H,10-11H2,1-2H3,(H,32,36)(H,33,37)(H,34,35);2-6H,1H3
• InChIKey: WMWJRHXWWNSWHF-UHFFFAOYSA-N
• XLogP: 9.09
• TPSA: 86.88 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	619.09
LogP ≤ 5	9.09
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-(1-methylcyclopropyl)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide;toluene?

The IUPAC name of N-(3-chloro-2-methylphenyl)-2-(1-methylcyclopropyl)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide;toluene (CID 156540571) is N-(3-chloro-2-methylphenyl)-2-(1-methylcyclopropyl)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide;toluene.

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

The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-(1-methylcyclopropyl)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide;toluene is Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(C3(C)CC3)nc12.Cc1ccccc1.

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

The InChIKey is WMWJRHXWWNSWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22ClF3N4O2.C7H8/c1-14-19(28)8-5-9-20(14)33-24(37)17-12-15(13-21-22(17)35-25(34-21)26(2)10-11-26)32-23(36)16-6-3-4-7-18(16)27(29,30)31;1-7-5-3-2-4-6-7/h3-9,12-13H,10-11H2,1-2H3,(H,32,36)(H,33,37)(H,34,35);2-6H,1H3.

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

N-(3-chloro-2-methylphenyl)-2-(1-methylcyclopropyl)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide;toluene has a molecular weight of 619.09 g/mol, XLogP of 9.09, 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-(1-methylcyclopropyl)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide;toluene is sourced from PubChem (CID 156540571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).