[3-benzyl-4-chloro-2-(1,1-difluoroethyl)quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;3-benzyl-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(1,1-difluoroethyl)-1H-quinolin-4-one;3-benzyl-2-(1,1-difluoroethyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]quinoline-4-carbonitrile;3-benzyl-2-(1,1-difluoroethyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-quinolin-4-one;[3-benzyl-2-(1,1-difluoroethyl)-4-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[3-benzyl-2-(1,1-difluoroethyl)-4-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol

C177H143Cl4F21N22O10 — CID 159025998

About [3-benzyl-4-chloro-2-(1,1-difluoroethyl)quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;3-benzyl-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(1,1-difluoroethyl)-1H-quinolin-4-one;3-benzyl-2-(1,1-difluoroethyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]quinoline-4-carbonitrile;3-benzyl-2-(1,1-difluoroethyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-quinolin-4-one;[3-benzyl-2-(1,1-difluoroethyl)-4-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[3-benzyl-2-(1,1-difluoroethyl)-4-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol

[3-benzyl-4-chloro-2-(1,1-difluoroethyl)quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;3-benzyl-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(1,1-difluoroethyl)-1H-quinolin-4-one;3-benzyl-2-(1,1-difluoroethyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]quinoline-4-carbonitrile;3-benzyl-2-(1,1-difluoroethyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-quinolin-4-one;[3-benzyl-2-(1,1-difluoroethyl)-4-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[3-benzyl-2-(1,1-difluoroethyl)-4-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol (PubChem CID 159025998) has the molecular formula C177H143Cl4F21N22O10 and a molecular weight of 3279.00 g/mol. Its IUPAC name is [3-benzyl-4-chloro-2-(1,1-difluoroethyl)quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;3-benzyl-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(1,1-difluoroethyl)-1H-quinolin-4-one;3-benzyl-2-(1,1-difluoroethyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]quinoline-4-carbonitrile;3-benzyl-2-(1,1-difluoroethyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-quinolin-4-one;[3-benzyl-2-(1,1-difluoroethyl)-4-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[3-benzyl-2-(1,1-difluoroethyl)-4-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol.

Molecular Properties

• Compound Name: [3-benzyl-4-chloro-2-(1,1-difluoroethyl)quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;3-benzyl-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(1,1-difluoroethyl)-1H-quinolin-4-one;3-benzyl-2-(1,1-difluoroethyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]quinoline-4-carbonitrile;3-benzyl-2-(1,1-difluoroethyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-quinolin-4-one;[3-benzyl-2-(1,1-difluoroethyl)-4-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[3-benzyl-2-(1,1-difluoroethyl)-4-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol
• PubChem CID: 159025998
• Molecular Formula: C177H143Cl4F21N22O10
• Molecular Weight: 3279.00 g/mol
• Exact Mass: 3274.98
• IUPAC Name: [3-benzyl-4-chloro-2-(1,1-difluoroethyl)quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;3-benzyl-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(1,1-difluoroethyl)-1H-quinolin-4-one;3-benzyl-2-(1,1-difluoroethyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]quinoline-4-carbonitrile;3-benzyl-2-(1,1-difluoroethyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-quinolin-4-one;[3-benzyl-2-(1,1-difluoroethyl)-4-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[3-benzyl-2-(1,1-difluoroethyl)-4-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol
• SMILES: COc1c(Cc2ccccc2)c(C(C)(F)F)nc2ccc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc12.COc1c(Cc2ccccc2)c(C(C)(F)F)nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc12.Cn1cncc1C(O)(c1ccc(C(F)(F)F)nc1)c1ccc2[nH]c(C(C)(F)F)c(Cc3ccccc3)c(=O)c2c1.Cn1cncc1C(O)(c1ccc(C(F)(F)F)nc1)c1ccc2nc(C(C)(F)F)c(Cc3ccccc3)c(C#N)c2c1.Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2[nH]c(C(C)(F)F)c(Cc3ccccc3)c(=O)c2c1.Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(C(C)(F)F)c(Cc3ccccc3)c(Cl)c2c1
• InChI: InChI=1S/C30H26ClF2N3O2.C30H22F5N5O.C30H25F5N4O2.C29H23Cl2F2N3O.C29H24ClF2N3O2.C29H23F5N4O2/c1-29(32,33)28-24(15-19-7-5-4-6-8-19)27(38-3)23-16-21(11-14-25(23)35-28)30(37,26-17-34-18-36(26)2)20-9-12-22(31)13-10-20;1-28(31,32)27-22(12-18-6-4-3-5-7-18)23(14-36)21-13-19(8-10-24(21)39-27)29(41,26-16-37-17-40(26)2)20-9-11-25(38-15-20)30(33,34)35;1-28(31,32)27-22(13-18-7-5-4-6-8-18)26(41-3)21-14-19(9-11-23(21)38-27)29(40,25-16-36-17-39(25)2)20-10-12-24(37-15-20)30(33,34)35;1-28(32,33)27-23(14-18-6-4-3-5-7-18)26(31)22-15-20(10-13-24(22)35-27)29(37,25-16-34-17-36(25)2)19-8-11-21(30)12-9-19;1-28(31,32)27-23(14-18-6-4-3-5-7-18)26(36)22-15-20(10-13-24(22)34-27)29(37,25-16-33-17-35(25)2)19-8-11-21(30)12-9-19;1-27(30,31)26-21(12-17-6-4-3-5-7-17)25(39)20-13-18(8-10-22(20)37-26)28(40,24-15-35-16-38(24)2)19-9-11-23(36-14-19)29(32,33)34/h4-14,16-18,37H,15H2,1-3H3;3-11,13,15-17,41H,12H2,1-2H3;4-12,14-17,40H,13H2,1-3H3;3-13,15-17,37H,14H2,1-2H3;3-13,15-17,37H,14H2,1-2H3,(H,34,36);3-11,13-16,40H,12H2,1-2H3,(H,37,39)
• InChIKey: JUHDLSIMSHJALE-UHFFFAOYSA-N
• XLogP: 38.06
• TPSA: 426.50 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 30
• Rotatable Bonds: 38
• Heavy Atoms: 234
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3279.00
LogP ≤ 5	38.06
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of [3-benzyl-4-chloro-2-(1,1-difluoroethyl)quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;3-benzyl-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(1,1-difluoroethyl)-1H-quinolin-4-one;3-benzyl-2-(1,1-difluoroethyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]quinoline-4-carbonitrile;3-benzyl-2-(1,1-difluoroethyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-quinolin-4-one;[3-benzyl-2-(1,1-difluoroethyl)-4-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[3-benzyl-2-(1,1-difluoroethyl)-4-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol?

The IUPAC name of [3-benzyl-4-chloro-2-(1,1-difluoroethyl)quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;3-benzyl-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(1,1-difluoroethyl)-1H-quinolin-4-one;3-benzyl-2-(1,1-difluoroethyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]quinoline-4-carbonitrile;3-benzyl-2-(1,1-difluoroethyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-quinolin-4-one;[3-benzyl-2-(1,1-difluoroethyl)-4-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[3-benzyl-2-(1,1-difluoroethyl)-4-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol (CID 159025998) is [3-benzyl-4-chloro-2-(1,1-difluoroethyl)quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;3-benzyl-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(1,1-difluoroethyl)-1H-quinolin-4-one;3-benzyl-2-(1,1-difluoroethyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]quinoline-4-carbonitrile;3-benzyl-2-(1,1-difluoroethyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-quinolin-4-one;[3-benzyl-2-(1,1-difluoroethyl)-4-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[3-benzyl-2-(1,1-difluoroethyl)-4-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol.

What is the SMILES notation for [3-benzyl-4-chloro-2-(1,1-difluoroethyl)quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;3-benzyl-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(1,1-difluoroethyl)-1H-quinolin-4-one;3-benzyl-2-(1,1-difluoroethyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]quinoline-4-carbonitrile;3-benzyl-2-(1,1-difluoroethyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-quinolin-4-one;[3-benzyl-2-(1,1-difluoroethyl)-4-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[3-benzyl-2-(1,1-difluoroethyl)-4-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol?

The canonical SMILES for [3-benzyl-4-chloro-2-(1,1-difluoroethyl)quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;3-benzyl-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(1,1-difluoroethyl)-1H-quinolin-4-one;3-benzyl-2-(1,1-difluoroethyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]quinoline-4-carbonitrile;3-benzyl-2-(1,1-difluoroethyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-quinolin-4-one;[3-benzyl-2-(1,1-difluoroethyl)-4-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[3-benzyl-2-(1,1-difluoroethyl)-4-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol is COc1c(Cc2ccccc2)c(C(C)(F)F)nc2ccc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc12.COc1c(Cc2ccccc2)c(C(C)(F)F)nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc12.Cn1cncc1C(O)(c1ccc(C(F)(F)F)nc1)c1ccc2[nH]c(C(C)(F)F)c(Cc3ccccc3)c(=O)c2c1.Cn1cncc1C(O)(c1ccc(C(F)(F)F)nc1)c1ccc2nc(C(C)(F)F)c(Cc3ccccc3)c(C#N)c2c1.Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2[nH]c(C(C)(F)F)c(Cc3ccccc3)c(=O)c2c1.Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(C(C)(F)F)c(Cc3ccccc3)c(Cl)c2c1.

What is the InChIKey of [3-benzyl-4-chloro-2-(1,1-difluoroethyl)quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;3-benzyl-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(1,1-difluoroethyl)-1H-quinolin-4-one;3-benzyl-2-(1,1-difluoroethyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]quinoline-4-carbonitrile;3-benzyl-2-(1,1-difluoroethyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-quinolin-4-one;[3-benzyl-2-(1,1-difluoroethyl)-4-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[3-benzyl-2-(1,1-difluoroethyl)-4-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol?

The InChIKey is JUHDLSIMSHJALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26ClF2N3O2.C30H22F5N5O.C30H25F5N4O2.C29H23Cl2F2N3O.C29H24ClF2N3O2.C29H23F5N4O2/c1-29(32,33)28-24(15-19-7-5-4-6-8-19)27(38-3)23-16-21(11-14-25(23)35-28)30(37,26-17-34-18-36(26)2)20-9-12-22(31)13-10-20;1-28(31,32)27-22(12-18-6-4-3-5-7-18)23(14-36)21-13-19(8-10-24(21)39-27)29(41,26-16-37-17-40(26)2)20-9-11-25(38-15-20)30(33,34)35;1-28(31,32)27-22(13-18-7-5-4-6-8-18)26(41-3)21-14-19(9-11-23(21)38-27)29(40,25-16-36-17-39(25)2)20-10-12-24(37-15-20)30(33,34)35;1-28(32,33)27-23(14-18-6-4-3-5-7-18)26(31)22-15-20(10-13-24(22)35-27)29(37,25-16-34-17-36(25)2)19-8-11-21(30)12-9-19;1-28(31,32)27-23(14-18-6-4-3-5-7-18)26(36)22-15-20(10-13-24(22)34-27)29(37,25-16-33-17-35(25)2)19-8-11-21(30)12-9-19;1-27(30,31)26-21(12-17-6-4-3-5-7-17)25(39)20-13-18(8-10-22(20)37-26)28(40,24-15-35-16-38(24)2)19-9-11-23(36-14-19)29(32,33)34/h4-14,16-18,37H,15H2,1-3H3;3-11,13,15-17,41H,12H2,1-2H3;4-12,14-17,40H,13H2,1-3H3;3-13,15-17,37H,14H2,1-2H3;3-13,15-17,37H,14H2,1-2H3,(H,34,36);3-11,13-16,40H,12H2,1-2H3,(H,37,39).

What are the key properties of [3-benzyl-4-chloro-2-(1,1-difluoroethyl)quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;3-benzyl-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(1,1-difluoroethyl)-1H-quinolin-4-one;3-benzyl-2-(1,1-difluoroethyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]quinoline-4-carbonitrile;3-benzyl-2-(1,1-difluoroethyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-quinolin-4-one;[3-benzyl-2-(1,1-difluoroethyl)-4-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[3-benzyl-2-(1,1-difluoroethyl)-4-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol?

[3-benzyl-4-chloro-2-(1,1-difluoroethyl)quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;3-benzyl-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(1,1-difluoroethyl)-1H-quinolin-4-one;3-benzyl-2-(1,1-difluoroethyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]quinoline-4-carbonitrile;3-benzyl-2-(1,1-difluoroethyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-quinolin-4-one;[3-benzyl-2-(1,1-difluoroethyl)-4-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[3-benzyl-2-(1,1-difluoroethyl)-4-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol has a molecular weight of 3279.00 g/mol, XLogP of 38.06, 38 rotatable bonds, 8 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for [3-benzyl-4-chloro-2-(1,1-difluoroethyl)quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;3-benzyl-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(1,1-difluoroethyl)-1H-quinolin-4-one;3-benzyl-2-(1,1-difluoroethyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]quinoline-4-carbonitrile;3-benzyl-2-(1,1-difluoroethyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-quinolin-4-one;[3-benzyl-2-(1,1-difluoroethyl)-4-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[3-benzyl-2-(1,1-difluoroethyl)-4-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol is sourced from PubChem (CID 159025998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).