2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-(2-methoxyethyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one

C94H79F15N20O5 — CID 167649193

About 2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-(2-methoxyethyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one

2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-(2-methoxyethyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one (PubChem CID 167649193) has the molecular formula C94H79F15N20O5 and a molecular weight of 1853.77 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-(2-methoxyethyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one.

Molecular Properties

• Compound Name: 2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-(2-methoxyethyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one
• PubChem CID: 167649193
• Molecular Formula: C94H79F15N20O5
• Molecular Weight: 1853.77 g/mol
• Exact Mass: 1852.63
• IUPAC Name: 2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-(2-methoxyethyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one
• SMILES: COCCc1[nH]n(-c2nc3ccccc3[nH]2)c(=O)c1CCc1ccc(F)cc1.O=c1c(CCC2CCN(CC(F)(F)F)CC2)c(-c2ccc(C(F)(F)F)cc2)[nH]n1-c1nc2ccccc2[nH]1.O=c1c(CCc2ccc(F)cc2)c(-c2ccc(C(F)(F)F)cc2)[nH]n1-c1nc2ncccc2[nH]1.O=c1c(CCc2ccc(F)cc2)c(-c2cnc(C(F)(F)F)nc2)[nH]n1-c1nc2ccccc2[nH]1
• InChI: InChI=1S/C26H25F6N5O.C24H17F4N5O.C23H16F4N6O.C21H21FN4O2/c27-25(28,29)15-36-13-11-16(12-14-36)5-10-19-22(17-6-8-18(9-7-17)26(30,31)32)35-37(23(19)38)24-33-20-3-1-2-4-21(20)34-24;25-17-10-3-14(4-11-17)5-12-18-20(15-6-8-16(9-7-15)24(26,27)28)32-33(22(18)34)23-30-19-2-1-13-29-21(19)31-23;24-15-8-5-13(6-9-15)7-10-16-19(14-11-28-21(29-12-14)23(25,26)27)32-33(20(16)34)22-30-17-3-1-2-4-18(17)31-22;1-28-13-12-17-16(11-8-14-6-9-15(22)10-7-14)20(27)26(25-17)21-23-18-4-2-3-5-19(18)24-21/h1-4,6-9,16,35H,5,10-15H2,(H,33,34);1-4,6-11,13,32H,5,12H2,(H,29,30,31);1-6,8-9,11-12,32H,7,10H2,(H,30,31);2-7,9-10,25H,8,11-13H2,1H3,(H,23,24)
• InChIKey: RFXZYNVCXRKJTD-UHFFFAOYSA-N
• XLogP: 18.58
• TPSA: 317.02 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 17
• Rotatable Bonds: 23
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1853.77
LogP ≤ 5	18.58
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-(2-methoxyethyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one?

The IUPAC name of 2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-(2-methoxyethyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one (CID 167649193) is 2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-(2-methoxyethyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one.

What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-(2-methoxyethyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one?

The canonical SMILES for 2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-(2-methoxyethyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one is COCCc1[nH]n(-c2nc3ccccc3[nH]2)c(=O)c1CCc1ccc(F)cc1.O=c1c(CCC2CCN(CC(F)(F)F)CC2)c(-c2ccc(C(F)(F)F)cc2)[nH]n1-c1nc2ccccc2[nH]1.O=c1c(CCc2ccc(F)cc2)c(-c2ccc(C(F)(F)F)cc2)[nH]n1-c1nc2ncccc2[nH]1.O=c1c(CCc2ccc(F)cc2)c(-c2cnc(C(F)(F)F)nc2)[nH]n1-c1nc2ccccc2[nH]1.

What is the InChIKey of 2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-(2-methoxyethyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one?

The InChIKey is RFXZYNVCXRKJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F6N5O.C24H17F4N5O.C23H16F4N6O.C21H21FN4O2/c27-25(28,29)15-36-13-11-16(12-14-36)5-10-19-22(17-6-8-18(9-7-17)26(30,31)32)35-37(23(19)38)24-33-20-3-1-2-4-21(20)34-24;25-17-10-3-14(4-11-17)5-12-18-20(15-6-8-16(9-7-15)24(26,27)28)32-33(22(18)34)23-30-19-2-1-13-29-21(19)31-23;24-15-8-5-13(6-9-15)7-10-16-19(14-11-28-21(29-12-14)23(25,26)27)32-33(20(16)34)22-30-17-3-1-2-4-18(17)31-22;1-28-13-12-17-16(11-8-14-6-9-15(22)10-7-14)20(27)26(25-17)21-23-18-4-2-3-5-19(18)24-21/h1-4,6-9,16,35H,5,10-15H2,(H,33,34);1-4,6-11,13,32H,5,12H2,(H,29,30,31);1-6,8-9,11-12,32H,7,10H2,(H,30,31);2-7,9-10,25H,8,11-13H2,1H3,(H,23,24).

What are the key properties of 2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-(2-methoxyethyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one?

2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-(2-methoxyethyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one has a molecular weight of 1853.77 g/mol, XLogP of 18.58, 23 rotatable bonds, 8 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-(2-methoxyethyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one is sourced from PubChem (CID 167649193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).