2-[2,6-dichloro-3-[[(2-fluoro-2-methylpropyl)amino]methyl]anilino]-1-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]-N-[6-(trifluoromethyl)-2-pyridinyl]benzimidazole-5-carboxamide

C32H32Cl2F7N7O — CID 123773153

About 2-[2,6-dichloro-3-[[(2-fluoro-2-methylpropyl)amino]methyl]anilino]-1-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]-N-[6-(trifluoromethyl)-2-pyridinyl]benzimidazole-5-carboxamide

2-[2,6-dichloro-3-[[(2-fluoro-2-methylpropyl)amino]methyl]anilino]-1-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]-N-[6-(trifluoromethyl)-2-pyridinyl]benzimidazole-5-carboxamide (PubChem CID 123773153) has the molecular formula C32H32Cl2F7N7O and a molecular weight of 734.55 g/mol. Its IUPAC name is 2-[2,6-dichloro-3-[[(2-fluoro-2-methylpropyl)amino]methyl]anilino]-1-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]-N-[6-(trifluoromethyl)-2-pyridinyl]benzimidazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-[2,6-dichloro-3-[[(2-fluoro-2-methylpropyl)amino]methyl]anilino]-1-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]-N-[6-(trifluoromethyl)-2-pyridinyl]benzimidazole-5-carboxamide
• PubChem CID: 123773153
• Molecular Formula: C32H32Cl2F7N7O
• Molecular Weight: 734.55 g/mol
• Exact Mass: 733.19
• IUPAC Name: 2-[2,6-dichloro-3-[[(2-fluoro-2-methylpropyl)amino]methyl]anilino]-1-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]-N-[6-(trifluoromethyl)-2-pyridinyl]benzimidazole-5-carboxamide
• SMILES: Cn1c(Nc2c(Cl)ccc(CNCC(C)(C)F)c2Cl)nc2cc(C(=O)Nc3cccc(C(F)(F)F)n3)c(N3CCC(C(F)(F)F)CC3)cc21
• InChI: InChI=1S/C32H32Cl2F7N7O/c1-30(2,35)16-42-15-17-7-8-20(33)27(26(17)34)46-29-43-21-13-19(28(49)45-25-6-4-5-24(44-25)32(39,40)41)22(14-23(21)47(29)3)48-11-9-18(10-12-48)31(36,37)38/h4-8,13-14,18,42H,9-12,15-16H2,1-3H3,(H,43,46)(H,44,45,49)
• InChIKey: WUTUUEOOSHNZHF-UHFFFAOYSA-N
• XLogP: 8.91
• TPSA: 87.11 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	734.55
LogP ≤ 5	8.91
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-dichloro-3-[[(2-fluoro-2-methylpropyl)amino]methyl]anilino]-1-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]-N-[6-(trifluoromethyl)-2-pyridinyl]benzimidazole-5-carboxamide?

The IUPAC name of 2-[2,6-dichloro-3-[[(2-fluoro-2-methylpropyl)amino]methyl]anilino]-1-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]-N-[6-(trifluoromethyl)-2-pyridinyl]benzimidazole-5-carboxamide (CID 123773153) is 2-[2,6-dichloro-3-[[(2-fluoro-2-methylpropyl)amino]methyl]anilino]-1-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]-N-[6-(trifluoromethyl)-2-pyridinyl]benzimidazole-5-carboxamide.

What is the SMILES notation for 2-[2,6-dichloro-3-[[(2-fluoro-2-methylpropyl)amino]methyl]anilino]-1-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]-N-[6-(trifluoromethyl)-2-pyridinyl]benzimidazole-5-carboxamide?

The canonical SMILES for 2-[2,6-dichloro-3-[[(2-fluoro-2-methylpropyl)amino]methyl]anilino]-1-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]-N-[6-(trifluoromethyl)-2-pyridinyl]benzimidazole-5-carboxamide is Cn1c(Nc2c(Cl)ccc(CNCC(C)(C)F)c2Cl)nc2cc(C(=O)Nc3cccc(C(F)(F)F)n3)c(N3CCC(C(F)(F)F)CC3)cc21.

What is the InChIKey of 2-[2,6-dichloro-3-[[(2-fluoro-2-methylpropyl)amino]methyl]anilino]-1-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]-N-[6-(trifluoromethyl)-2-pyridinyl]benzimidazole-5-carboxamide?

The InChIKey is WUTUUEOOSHNZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32Cl2F7N7O/c1-30(2,35)16-42-15-17-7-8-20(33)27(26(17)34)46-29-43-21-13-19(28(49)45-25-6-4-5-24(44-25)32(39,40)41)22(14-23(21)47(29)3)48-11-9-18(10-12-48)31(36,37)38/h4-8,13-14,18,42H,9-12,15-16H2,1-3H3,(H,43,46)(H,44,45,49).

What are the key properties of 2-[2,6-dichloro-3-[[(2-fluoro-2-methylpropyl)amino]methyl]anilino]-1-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]-N-[6-(trifluoromethyl)-2-pyridinyl]benzimidazole-5-carboxamide?

2-[2,6-dichloro-3-[[(2-fluoro-2-methylpropyl)amino]methyl]anilino]-1-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]-N-[6-(trifluoromethyl)-2-pyridinyl]benzimidazole-5-carboxamide has a molecular weight of 734.55 g/mol, XLogP of 8.91, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2,6-dichloro-3-[[(2-fluoro-2-methylpropyl)amino]methyl]anilino]-1-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]-N-[6-(trifluoromethyl)-2-pyridinyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 123773153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).