bis(3-(1H-benzimidazol-2-yl)-4-chloro-N-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methyl]aniline);N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

C63H46Cl3F9N12O — CID 158090672

About bis(3-(1H-benzimidazol-2-yl)-4-chloro-N-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methyl]aniline);N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

bis(3-(1H-benzimidazol-2-yl)-4-chloro-N-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methyl]aniline);N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 158090672) has the molecular formula C63H46Cl3F9N12O and a molecular weight of 1264.48 g/mol. Its IUPAC name is bis(3-(1H-benzimidazol-2-yl)-4-chloro-N-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methyl]aniline);N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: bis(3-(1H-benzimidazol-2-yl)-4-chloro-N-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methyl]aniline);N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
• PubChem CID: 158090672
• Molecular Formula: C63H46Cl3F9N12O
• Molecular Weight: 1264.48 g/mol
• Exact Mass: 1262.28
• IUPAC Name: bis(3-(1H-benzimidazol-2-yl)-4-chloro-N-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methyl]aniline);N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
• SMILES: Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1.Cc1nc(C(F)(F)F)ccc1CNc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1.Cc1nc(C(F)(F)F)ccc1CNc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1
• InChI: InChI=1S/C21H14ClF3N4O.2C21H16ClF3N4/c1-11-13(7-9-18(26-11)21(23,24)25)20(30)27-12-6-8-15(22)14(10-12)19-28-16-4-2-3-5-17(16)29-19;2*1-12-13(6-9-19(27-12)21(23,24)25)11-26-14-7-8-16(22)15(10-14)20-28-17-4-2-3-5-18(17)29-20/h2-10H,1H3,(H,27,30)(H,28,29);2*2-10,26H,11H2,1H3,(H,28,29)
• InChIKey: FOBGYACWDPPVDQ-UHFFFAOYSA-N
• XLogP: 18.29
• TPSA: 177.87 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1264.48
LogP ≤ 5	18.29
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of bis(3-(1H-benzimidazol-2-yl)-4-chloro-N-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methyl]aniline);N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?

The IUPAC name of bis(3-(1H-benzimidazol-2-yl)-4-chloro-N-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methyl]aniline);N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (CID 158090672) is bis(3-(1H-benzimidazol-2-yl)-4-chloro-N-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methyl]aniline);N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.

What is the SMILES notation for bis(3-(1H-benzimidazol-2-yl)-4-chloro-N-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methyl]aniline);N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?

The canonical SMILES for bis(3-(1H-benzimidazol-2-yl)-4-chloro-N-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methyl]aniline);N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1.Cc1nc(C(F)(F)F)ccc1CNc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1.Cc1nc(C(F)(F)F)ccc1CNc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1.

What is the InChIKey of bis(3-(1H-benzimidazol-2-yl)-4-chloro-N-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methyl]aniline);N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?

The InChIKey is FOBGYACWDPPVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClF3N4O.2C21H16ClF3N4/c1-11-13(7-9-18(26-11)21(23,24)25)20(30)27-12-6-8-15(22)14(10-12)19-28-16-4-2-3-5-17(16)29-19;2*1-12-13(6-9-19(27-12)21(23,24)25)11-26-14-7-8-16(22)15(10-14)20-28-17-4-2-3-5-18(17)29-20/h2-10H,1H3,(H,27,30)(H,28,29);2*2-10,26H,11H2,1H3,(H,28,29).

What are the key properties of bis(3-(1H-benzimidazol-2-yl)-4-chloro-N-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methyl]aniline);N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?

bis(3-(1H-benzimidazol-2-yl)-4-chloro-N-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methyl]aniline);N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 1264.48 g/mol, XLogP of 18.29, 11 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for bis(3-(1H-benzimidazol-2-yl)-4-chloro-N-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methyl]aniline);N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 158090672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).