2-chloro-N-[5-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]propanamide;1-[4-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]but-3-en-2-one;N-[[4-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]methyl]prop-2-enamide;N-[5-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]prop-2-enamide;3-methyl-1-[4-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]but-2-en-1-one

C139H117ClF15N33O10 — CID 162120164

About 2-chloro-N-[5-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]propanamide;1-[4-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]but-3-en-2-one;N-[[4-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]methyl]prop-2-enamide;N-[5-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]prop-2-enamide;3-methyl-1-[4-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]but-2-en-1-one

2-chloro-N-[5-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]propanamide;1-[4-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]but-3-en-2-one;N-[[4-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]methyl]prop-2-enamide;N-[5-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]prop-2-enamide;3-methyl-1-[4-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]but-2-en-1-one (PubChem CID 162120164) has the molecular formula C139H117ClF15N33O10 and a molecular weight of 2730.11 g/mol. Its IUPAC name is 2-chloro-N-[5-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]propanamide;1-[4-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]but-3-en-2-one;N-[[4-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]methyl]prop-2-enamide;N-[5-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]prop-2-enamide;3-methyl-1-[4-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]but-2-en-1-one.

Molecular Properties

• Compound Name: 2-chloro-N-[5-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]propanamide;1-[4-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]but-3-en-2-one;N-[[4-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]methyl]prop-2-enamide;N-[5-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]prop-2-enamide;3-methyl-1-[4-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]but-2-en-1-one
• PubChem CID: 162120164
• Molecular Formula: C139H117ClF15N33O10
• Molecular Weight: 2730.11 g/mol
• Exact Mass: 2727.91
• IUPAC Name: 2-chloro-N-[5-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]propanamide;1-[4-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]but-3-en-2-one;N-[[4-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]methyl]prop-2-enamide;N-[5-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]prop-2-enamide;3-methyl-1-[4-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]but-2-en-1-one
• SMILES: C=CC(=O)Cc1ccc(Nc2nc3cc(Oc4ccnc(-c5ncc(C)[nH]5)c4)ccc3n2C)cc1C(F)(F)F.C=CC(=O)NCc1ccc(Nc2nc3cc(Oc4ccnc(-c5ncc(C)[nH]5)c4)ccc3n2C)cc1C(F)(F)F.C=CC(=O)Nc1cc(Nc2nc3cc(Oc4ccnc(-c5ncc(C)[nH]5)c4)ccc3n2C)ccc1C(F)(F)F.CC(C)=CC(=O)c1ccc(Nc2nc3cc(Oc4ccnc(-c5ncc(C)[nH]5)c4)ccc3n2C)cc1C(F)(F)F.Cc1cnc(-c2cc(Oc3ccc4c(c3)nc(Nc3ccc(C(F)(F)F)c(NC(=O)C(C)Cl)c3)n4C)ccn2)[nH]1
• InChI: InChI=1S/C29H25F3N6O2.C28H24F3N7O2.C28H23F3N6O2.C27H23ClF3N7O2.C27H22F3N7O2/c1-16(2)11-26(39)21-7-5-18(12-22(21)29(30,31)32)36-28-37-23-13-19(6-8-25(23)38(28)4)40-20-9-10-33-24(14-20)27-34-15-17(3)35-27;1-4-25(39)33-15-17-5-6-18(11-21(17)28(29,30)31)36-27-37-22-12-19(7-8-24(22)38(27)3)40-20-9-10-32-23(13-20)26-34-14-16(2)35-26;1-4-19(38)11-17-5-6-18(12-22(17)28(29,30)31)35-27-36-23-13-20(7-8-25(23)37(27)3)39-21-9-10-32-24(14-21)26-33-15-16(2)34-26;1-14-13-33-24(34-14)22-12-18(8-9-32-22)40-17-5-7-23-21(11-17)37-26(38(23)3)35-16-4-6-19(27(29,30)31)20(10-16)36-25(39)15(2)28;1-4-24(38)35-20-11-16(5-7-19(20)27(28,29)30)34-26-36-21-12-17(6-8-23(21)37(26)3)39-18-9-10-31-22(13-18)25-32-14-15(2)33-25/h5-15H,1-4H3,(H,34,35)(H,36,37);4-14H,1,15H2,2-3H3,(H,33,39)(H,34,35)(H,36,37);4-10,12-15H,1,11H2,2-3H3,(H,33,34)(H,35,36);4-13,15H,1-3H3,(H,33,34)(H,35,37)(H,36,39);4-14H,1H2,2-3H3,(H,32,33)(H,34,36)(H,35,38)
• InChIKey: ZHHNIMJNCMNOGG-UHFFFAOYSA-N
• XLogP: 33.05
• TPSA: 524.69 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 35
• Rotatable Bonds: 37
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2730.11
LogP ≤ 5	33.05
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]propanamide;1-[4-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]but-3-en-2-one;N-[[4-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]methyl]prop-2-enamide;N-[5-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]prop-2-enamide;3-methyl-1-[4-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]but-2-en-1-one?

The IUPAC name of 2-chloro-N-[5-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]propanamide;1-[4-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]but-3-en-2-one;N-[[4-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]methyl]prop-2-enamide;N-[5-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]prop-2-enamide;3-methyl-1-[4-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]but-2-en-1-one (CID 162120164) is 2-chloro-N-[5-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]propanamide;1-[4-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]but-3-en-2-one;N-[[4-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]methyl]prop-2-enamide;N-[5-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]prop-2-enamide;3-methyl-1-[4-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]but-2-en-1-one.

What is the SMILES notation for 2-chloro-N-[5-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]propanamide;1-[4-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]but-3-en-2-one;N-[[4-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]methyl]prop-2-enamide;N-[5-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]prop-2-enamide;3-methyl-1-[4-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]but-2-en-1-one?

The canonical SMILES for 2-chloro-N-[5-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]propanamide;1-[4-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]but-3-en-2-one;N-[[4-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]methyl]prop-2-enamide;N-[5-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]prop-2-enamide;3-methyl-1-[4-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]but-2-en-1-one is C=CC(=O)Cc1ccc(Nc2nc3cc(Oc4ccnc(-c5ncc(C)[nH]5)c4)ccc3n2C)cc1C(F)(F)F.C=CC(=O)NCc1ccc(Nc2nc3cc(Oc4ccnc(-c5ncc(C)[nH]5)c4)ccc3n2C)cc1C(F)(F)F.C=CC(=O)Nc1cc(Nc2nc3cc(Oc4ccnc(-c5ncc(C)[nH]5)c4)ccc3n2C)ccc1C(F)(F)F.CC(C)=CC(=O)c1ccc(Nc2nc3cc(Oc4ccnc(-c5ncc(C)[nH]5)c4)ccc3n2C)cc1C(F)(F)F.Cc1cnc(-c2cc(Oc3ccc4c(c3)nc(Nc3ccc(C(F)(F)F)c(NC(=O)C(C)Cl)c3)n4C)ccn2)[nH]1.

What is the InChIKey of 2-chloro-N-[5-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]propanamide;1-[4-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]but-3-en-2-one;N-[[4-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]methyl]prop-2-enamide;N-[5-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]prop-2-enamide;3-methyl-1-[4-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]but-2-en-1-one?

The InChIKey is ZHHNIMJNCMNOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25F3N6O2.C28H24F3N7O2.C28H23F3N6O2.C27H23ClF3N7O2.C27H22F3N7O2/c1-16(2)11-26(39)21-7-5-18(12-22(21)29(30,31)32)36-28-37-23-13-19(6-8-25(23)38(28)4)40-20-9-10-33-24(14-20)27-34-15-17(3)35-27;1-4-25(39)33-15-17-5-6-18(11-21(17)28(29,30)31)36-27-37-22-12-19(7-8-24(22)38(27)3)40-20-9-10-32-23(13-20)26-34-14-16(2)35-26;1-4-19(38)11-17-5-6-18(12-22(17)28(29,30)31)35-27-36-23-13-20(7-8-25(23)37(27)3)39-21-9-10-32-24(14-21)26-33-15-16(2)34-26;1-14-13-33-24(34-14)22-12-18(8-9-32-22)40-17-5-7-23-21(11-17)37-26(38(23)3)35-16-4-6-19(27(29,30)31)20(10-16)36-25(39)15(2)28;1-4-24(38)35-20-11-16(5-7-19(20)27(28,29)30)34-26-36-21-12-17(6-8-23(21)37(26)3)39-18-9-10-31-22(13-18)25-32-14-15(2)33-25/h5-15H,1-4H3,(H,34,35)(H,36,37);4-14H,1,15H2,2-3H3,(H,33,39)(H,34,35)(H,36,37);4-10,12-15H,1,11H2,2-3H3,(H,33,34)(H,35,36);4-13,15H,1-3H3,(H,33,34)(H,35,37)(H,36,39);4-14H,1H2,2-3H3,(H,32,33)(H,34,36)(H,35,38).

What are the key properties of 2-chloro-N-[5-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]propanamide;1-[4-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]but-3-en-2-one;N-[[4-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]methyl]prop-2-enamide;N-[5-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]prop-2-enamide;3-methyl-1-[4-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]but-2-en-1-one?

2-chloro-N-[5-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]propanamide;1-[4-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]but-3-en-2-one;N-[[4-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]methyl]prop-2-enamide;N-[5-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]prop-2-enamide;3-methyl-1-[4-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]but-2-en-1-one has a molecular weight of 2730.11 g/mol, XLogP of 33.05, 37 rotatable bonds, 13 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[5-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]propanamide;1-[4-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]but-3-en-2-one;N-[[4-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]methyl]prop-2-enamide;N-[5-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]prop-2-enamide;3-methyl-1-[4-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]but-2-en-1-one is sourced from PubChem (CID 162120164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).