6-chloro-5-N-cyclopropyl-1-ethyl-2-N-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]benzimidazole-2,5-dicarboxamide;6-chloro-5-N-cyclopropyl-3-ethyl-2-N-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]benzimidazole-2,5-dicarboxamide

C46H38Cl2F12N8O4 — CID 159204713

About 6-chloro-5-N-cyclopropyl-1-ethyl-2-N-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]benzimidazole-2,5-dicarboxamide;6-chloro-5-N-cyclopropyl-3-ethyl-2-N-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]benzimidazole-2,5-dicarboxamide

6-chloro-5-N-cyclopropyl-1-ethyl-2-N-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]benzimidazole-2,5-dicarboxamide;6-chloro-5-N-cyclopropyl-3-ethyl-2-N-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]benzimidazole-2,5-dicarboxamide (PubChem CID 159204713) has the molecular formula C46H38Cl2F12N8O4 and a molecular weight of 1065.74 g/mol. Its IUPAC name is 6-chloro-5-N-cyclopropyl-1-ethyl-2-N-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]benzimidazole-2,5-dicarboxamide;6-chloro-5-N-cyclopropyl-3-ethyl-2-N-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]benzimidazole-2,5-dicarboxamide.

Molecular Properties

• Compound Name: 6-chloro-5-N-cyclopropyl-1-ethyl-2-N-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]benzimidazole-2,5-dicarboxamide;6-chloro-5-N-cyclopropyl-3-ethyl-2-N-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]benzimidazole-2,5-dicarboxamide
• PubChem CID: 159204713
• Molecular Formula: C46H38Cl2F12N8O4
• Molecular Weight: 1065.74 g/mol
• Exact Mass: 1064.22
• IUPAC Name: 6-chloro-5-N-cyclopropyl-1-ethyl-2-N-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]benzimidazole-2,5-dicarboxamide;6-chloro-5-N-cyclopropyl-3-ethyl-2-N-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]benzimidazole-2,5-dicarboxamide
• SMILES: CCn1c(C(=O)NC(c2cccc(C(F)(F)F)c2)C(F)(F)F)nc2cc(C(=O)NC3CC3)c(Cl)cc21.CCn1c(C(=O)NC(c2cccc(C(F)(F)F)c2)C(F)(F)F)nc2cc(Cl)c(C(=O)NC3CC3)cc21
• InChI: InChI=1S/2C23H19ClF6N4O2/c1-2-34-17-9-14(20(35)31-13-6-7-13)15(24)10-16(17)32-19(34)21(36)33-18(23(28,29)30)11-4-3-5-12(8-11)22(25,26)27;1-2-34-17-10-15(24)14(20(35)31-13-6-7-13)9-16(17)32-19(34)21(36)33-18(23(28,29)30)11-4-3-5-12(8-11)22(25,26)27/h2*3-5,8-10,13,18H,2,6-7H2,1H3,(H,31,35)(H,33,36)
• InChIKey: KPSQNPUCKIRCJX-UHFFFAOYSA-N
• XLogP: 11.31
• TPSA: 152.04 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1065.74
LogP ≤ 5	11.31
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-N-cyclopropyl-1-ethyl-2-N-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]benzimidazole-2,5-dicarboxamide;6-chloro-5-N-cyclopropyl-3-ethyl-2-N-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]benzimidazole-2,5-dicarboxamide?

The IUPAC name of 6-chloro-5-N-cyclopropyl-1-ethyl-2-N-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]benzimidazole-2,5-dicarboxamide;6-chloro-5-N-cyclopropyl-3-ethyl-2-N-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]benzimidazole-2,5-dicarboxamide (CID 159204713) is 6-chloro-5-N-cyclopropyl-1-ethyl-2-N-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]benzimidazole-2,5-dicarboxamide;6-chloro-5-N-cyclopropyl-3-ethyl-2-N-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]benzimidazole-2,5-dicarboxamide.

What is the SMILES notation for 6-chloro-5-N-cyclopropyl-1-ethyl-2-N-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]benzimidazole-2,5-dicarboxamide;6-chloro-5-N-cyclopropyl-3-ethyl-2-N-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]benzimidazole-2,5-dicarboxamide?

The canonical SMILES for 6-chloro-5-N-cyclopropyl-1-ethyl-2-N-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]benzimidazole-2,5-dicarboxamide;6-chloro-5-N-cyclopropyl-3-ethyl-2-N-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]benzimidazole-2,5-dicarboxamide is CCn1c(C(=O)NC(c2cccc(C(F)(F)F)c2)C(F)(F)F)nc2cc(C(=O)NC3CC3)c(Cl)cc21.CCn1c(C(=O)NC(c2cccc(C(F)(F)F)c2)C(F)(F)F)nc2cc(Cl)c(C(=O)NC3CC3)cc21.

What is the InChIKey of 6-chloro-5-N-cyclopropyl-1-ethyl-2-N-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]benzimidazole-2,5-dicarboxamide;6-chloro-5-N-cyclopropyl-3-ethyl-2-N-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]benzimidazole-2,5-dicarboxamide?

The InChIKey is KPSQNPUCKIRCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H19ClF6N4O2/c1-2-34-17-9-14(20(35)31-13-6-7-13)15(24)10-16(17)32-19(34)21(36)33-18(23(28,29)30)11-4-3-5-12(8-11)22(25,26)27;1-2-34-17-10-15(24)14(20(35)31-13-6-7-13)9-16(17)32-19(34)21(36)33-18(23(28,29)30)11-4-3-5-12(8-11)22(25,26)27/h2*3-5,8-10,13,18H,2,6-7H2,1H3,(H,31,35)(H,33,36).

What are the key properties of 6-chloro-5-N-cyclopropyl-1-ethyl-2-N-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]benzimidazole-2,5-dicarboxamide;6-chloro-5-N-cyclopropyl-3-ethyl-2-N-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]benzimidazole-2,5-dicarboxamide?

6-chloro-5-N-cyclopropyl-1-ethyl-2-N-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]benzimidazole-2,5-dicarboxamide;6-chloro-5-N-cyclopropyl-3-ethyl-2-N-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]benzimidazole-2,5-dicarboxamide has a molecular weight of 1065.74 g/mol, XLogP of 11.31, 12 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-5-N-cyclopropyl-1-ethyl-2-N-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]benzimidazole-2,5-dicarboxamide;6-chloro-5-N-cyclopropyl-3-ethyl-2-N-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]benzimidazole-2,5-dicarboxamide is sourced from PubChem (CID 159204713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).