1-[[4,6-bis(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]piperidin-2-one;2-[4,6-bis(trifluoromethyl)-3H-indol-2-yl]-N-methylethanamine;(2S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-methyl-2-(methylamino)pentanamide;2-cyclohexyl-6-methyl-4-(trifluoromethyl)-1H-benzimidazole;2-[5-(1,1-difluoroethyl)-2H-pyrrol-3-yl]-4,6-bis(trifluoromethyl)-1H-benzimidazole;2-(oxan-2-yl)-4,6-bis(trifluoromethyl)-1H-benzimidazole

C88H83F35N14O3 — CID 159316207

About 1-[[4,6-bis(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]piperidin-2-one;2-[4,6-bis(trifluoromethyl)-3H-indol-2-yl]-N-methylethanamine;(2S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-methyl-2-(methylamino)pentanamide;2-cyclohexyl-6-methyl-4-(trifluoromethyl)-1H-benzimidazole;2-[5-(1,1-difluoroethyl)-2H-pyrrol-3-yl]-4,6-bis(trifluoromethyl)-1H-benzimidazole;2-(oxan-2-yl)-4,6-bis(trifluoromethyl)-1H-benzimidazole

1-[[4,6-bis(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]piperidin-2-one;2-[4,6-bis(trifluoromethyl)-3H-indol-2-yl]-N-methylethanamine;(2S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-methyl-2-(methylamino)pentanamide;2-cyclohexyl-6-methyl-4-(trifluoromethyl)-1H-benzimidazole;2-[5-(1,1-difluoroethyl)-2H-pyrrol-3-yl]-4,6-bis(trifluoromethyl)-1H-benzimidazole;2-(oxan-2-yl)-4,6-bis(trifluoromethyl)-1H-benzimidazole (PubChem CID 159316207) has the molecular formula C88H83F35N14O3 and a molecular weight of 2049.66 g/mol. Its IUPAC name is 1-[[4,6-bis(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]piperidin-2-one;2-[4,6-bis(trifluoromethyl)-3H-indol-2-yl]-N-methylethanamine;(2S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-methyl-2-(methylamino)pentanamide;2-cyclohexyl-6-methyl-4-(trifluoromethyl)-1H-benzimidazole;2-[5-(1,1-difluoroethyl)-2H-pyrrol-3-yl]-4,6-bis(trifluoromethyl)-1H-benzimidazole;2-(oxan-2-yl)-4,6-bis(trifluoromethyl)-1H-benzimidazole.

Molecular Properties

• Compound Name: 1-[[4,6-bis(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]piperidin-2-one;2-[4,6-bis(trifluoromethyl)-3H-indol-2-yl]-N-methylethanamine;(2S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-methyl-2-(methylamino)pentanamide;2-cyclohexyl-6-methyl-4-(trifluoromethyl)-1H-benzimidazole;2-[5-(1,1-difluoroethyl)-2H-pyrrol-3-yl]-4,6-bis(trifluoromethyl)-1H-benzimidazole;2-(oxan-2-yl)-4,6-bis(trifluoromethyl)-1H-benzimidazole
• PubChem CID: 159316207
• Molecular Formula: C88H83F35N14O3
• Molecular Weight: 2049.66 g/mol
• Exact Mass: 2048.62
• IUPAC Name: 1-[[4,6-bis(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]piperidin-2-one;2-[4,6-bis(trifluoromethyl)-3H-indol-2-yl]-N-methylethanamine;(2S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-methyl-2-(methylamino)pentanamide;2-cyclohexyl-6-methyl-4-(trifluoromethyl)-1H-benzimidazole;2-[5-(1,1-difluoroethyl)-2H-pyrrol-3-yl]-4,6-bis(trifluoromethyl)-1H-benzimidazole;2-(oxan-2-yl)-4,6-bis(trifluoromethyl)-1H-benzimidazole
• SMILES: CC(F)(F)C1=NCC(c2nc3c(C(F)(F)F)cc(C(F)(F)F)cc3[nH]2)=C1.CNCCC1=Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2C1.CN[C@@H](CC(C)C)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1.Cc1cc(C(F)(F)F)c2nc(C3CCCCC3)[nH]c2c1.FC(F)(F)c1cc(C(F)(F)F)c2nc(C3CCCCO3)[nH]c2c1.O=C1CCCCN1Cc1nc2c(C(F)(F)F)cc(C(F)(F)F)cc2[nH]1
• InChI: InChI=1S/C16H20F6N2O.C15H9F8N3.C15H13F6N3O.C15H17F3N2.C14H12F6N2O.C13H12F6N2/c1-9(2)4-13(23-3)14(25)24-8-10-5-11(15(17,18)19)7-12(6-10)16(20,21)22;1-13(16,17)10-2-6(5-24-10)12-25-9-4-7(14(18,19)20)3-8(11(9)26-12)15(21,22)23;16-14(17,18)8-5-9(15(19,20)21)13-10(6-8)22-11(23-13)7-24-4-2-1-3-12(24)25;1-9-7-11(15(16,17)18)13-12(8-9)19-14(20-13)10-5-3-2-4-6-10;15-13(16,17)7-5-8(14(18,19)20)11-9(6-7)21-12(22-11)10-3-1-2-4-23-10;1-20-3-2-8-6-9-10(13(17,18)19)4-7(12(14,15)16)5-11(9)21-8/h5-7,9,13,23H,4,8H2,1-3H3,(H,24,25);2-4H,5H2,1H3,(H,25,26);5-6H,1-4,7H2,(H,22,23);7-8,10H,2-6H2,1H3,(H,19,20);5-6,10H,1-4H2,(H,21,22);4-5,20H,2-3,6H2,1H3/t13-;;;;;/m0...../s1
• InChIKey: LDDYUCUDGFVPAK-VFZNITTPSA-N
• XLogP: 26.92
• TPSA: 222.14 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 11
• Rotatable Bonds: 15
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2049.66
LogP ≤ 5	26.92
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 1-[[4,6-bis(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]piperidin-2-one;2-[4,6-bis(trifluoromethyl)-3H-indol-2-yl]-N-methylethanamine;(2S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-methyl-2-(methylamino)pentanamide;2-cyclohexyl-6-methyl-4-(trifluoromethyl)-1H-benzimidazole;2-[5-(1,1-difluoroethyl)-2H-pyrrol-3-yl]-4,6-bis(trifluoromethyl)-1H-benzimidazole;2-(oxan-2-yl)-4,6-bis(trifluoromethyl)-1H-benzimidazole?

The IUPAC name of 1-[[4,6-bis(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]piperidin-2-one;2-[4,6-bis(trifluoromethyl)-3H-indol-2-yl]-N-methylethanamine;(2S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-methyl-2-(methylamino)pentanamide;2-cyclohexyl-6-methyl-4-(trifluoromethyl)-1H-benzimidazole;2-[5-(1,1-difluoroethyl)-2H-pyrrol-3-yl]-4,6-bis(trifluoromethyl)-1H-benzimidazole;2-(oxan-2-yl)-4,6-bis(trifluoromethyl)-1H-benzimidazole (CID 159316207) is 1-[[4,6-bis(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]piperidin-2-one;2-[4,6-bis(trifluoromethyl)-3H-indol-2-yl]-N-methylethanamine;(2S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-methyl-2-(methylamino)pentanamide;2-cyclohexyl-6-methyl-4-(trifluoromethyl)-1H-benzimidazole;2-[5-(1,1-difluoroethyl)-2H-pyrrol-3-yl]-4,6-bis(trifluoromethyl)-1H-benzimidazole;2-(oxan-2-yl)-4,6-bis(trifluoromethyl)-1H-benzimidazole.

What is the SMILES notation for 1-[[4,6-bis(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]piperidin-2-one;2-[4,6-bis(trifluoromethyl)-3H-indol-2-yl]-N-methylethanamine;(2S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-methyl-2-(methylamino)pentanamide;2-cyclohexyl-6-methyl-4-(trifluoromethyl)-1H-benzimidazole;2-[5-(1,1-difluoroethyl)-2H-pyrrol-3-yl]-4,6-bis(trifluoromethyl)-1H-benzimidazole;2-(oxan-2-yl)-4,6-bis(trifluoromethyl)-1H-benzimidazole?

The canonical SMILES for 1-[[4,6-bis(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]piperidin-2-one;2-[4,6-bis(trifluoromethyl)-3H-indol-2-yl]-N-methylethanamine;(2S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-methyl-2-(methylamino)pentanamide;2-cyclohexyl-6-methyl-4-(trifluoromethyl)-1H-benzimidazole;2-[5-(1,1-difluoroethyl)-2H-pyrrol-3-yl]-4,6-bis(trifluoromethyl)-1H-benzimidazole;2-(oxan-2-yl)-4,6-bis(trifluoromethyl)-1H-benzimidazole is CC(F)(F)C1=NCC(c2nc3c(C(F)(F)F)cc(C(F)(F)F)cc3[nH]2)=C1.CNCCC1=Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2C1.CN[C@@H](CC(C)C)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1.Cc1cc(C(F)(F)F)c2nc(C3CCCCC3)[nH]c2c1.FC(F)(F)c1cc(C(F)(F)F)c2nc(C3CCCCO3)[nH]c2c1.O=C1CCCCN1Cc1nc2c(C(F)(F)F)cc(C(F)(F)F)cc2[nH]1.

What is the InChIKey of 1-[[4,6-bis(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]piperidin-2-one;2-[4,6-bis(trifluoromethyl)-3H-indol-2-yl]-N-methylethanamine;(2S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-methyl-2-(methylamino)pentanamide;2-cyclohexyl-6-methyl-4-(trifluoromethyl)-1H-benzimidazole;2-[5-(1,1-difluoroethyl)-2H-pyrrol-3-yl]-4,6-bis(trifluoromethyl)-1H-benzimidazole;2-(oxan-2-yl)-4,6-bis(trifluoromethyl)-1H-benzimidazole?

The InChIKey is LDDYUCUDGFVPAK-VFZNITTPSA-N. The full InChI is InChI=1S/C16H20F6N2O.C15H9F8N3.C15H13F6N3O.C15H17F3N2.C14H12F6N2O.C13H12F6N2/c1-9(2)4-13(23-3)14(25)24-8-10-5-11(15(17,18)19)7-12(6-10)16(20,21)22;1-13(16,17)10-2-6(5-24-10)12-25-9-4-7(14(18,19)20)3-8(11(9)26-12)15(21,22)23;16-14(17,18)8-5-9(15(19,20)21)13-10(6-8)22-11(23-13)7-24-4-2-1-3-12(24)25;1-9-7-11(15(16,17)18)13-12(8-9)19-14(20-13)10-5-3-2-4-6-10;15-13(16,17)7-5-8(14(18,19)20)11-9(6-7)21-12(22-11)10-3-1-2-4-23-10;1-20-3-2-8-6-9-10(13(17,18)19)4-7(12(14,15)16)5-11(9)21-8/h5-7,9,13,23H,4,8H2,1-3H3,(H,24,25);2-4H,5H2,1H3,(H,25,26);5-6H,1-4,7H2,(H,22,23);7-8,10H,2-6H2,1H3,(H,19,20);5-6,10H,1-4H2,(H,21,22);4-5,20H,2-3,6H2,1H3/t13-;;;;;/m0...../s1.

What are the key properties of 1-[[4,6-bis(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]piperidin-2-one;2-[4,6-bis(trifluoromethyl)-3H-indol-2-yl]-N-methylethanamine;(2S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-methyl-2-(methylamino)pentanamide;2-cyclohexyl-6-methyl-4-(trifluoromethyl)-1H-benzimidazole;2-[5-(1,1-difluoroethyl)-2H-pyrrol-3-yl]-4,6-bis(trifluoromethyl)-1H-benzimidazole;2-(oxan-2-yl)-4,6-bis(trifluoromethyl)-1H-benzimidazole?

1-[[4,6-bis(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]piperidin-2-one;2-[4,6-bis(trifluoromethyl)-3H-indol-2-yl]-N-methylethanamine;(2S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-methyl-2-(methylamino)pentanamide;2-cyclohexyl-6-methyl-4-(trifluoromethyl)-1H-benzimidazole;2-[5-(1,1-difluoroethyl)-2H-pyrrol-3-yl]-4,6-bis(trifluoromethyl)-1H-benzimidazole;2-(oxan-2-yl)-4,6-bis(trifluoromethyl)-1H-benzimidazole has a molecular weight of 2049.66 g/mol, XLogP of 26.92, 15 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[4,6-bis(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]piperidin-2-one;2-[4,6-bis(trifluoromethyl)-3H-indol-2-yl]-N-methylethanamine;(2S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-methyl-2-(methylamino)pentanamide;2-cyclohexyl-6-methyl-4-(trifluoromethyl)-1H-benzimidazole;2-[5-(1,1-difluoroethyl)-2H-pyrrol-3-yl]-4,6-bis(trifluoromethyl)-1H-benzimidazole;2-(oxan-2-yl)-4,6-bis(trifluoromethyl)-1H-benzimidazole is sourced from PubChem (CID 159316207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).