2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[3-(4-fluorophenyl)propyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-pyridin-3-yl-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-(oxan-2-ylmethyl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one

C97H80F10N18O5 — CID 167640889

About 2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[3-(4-fluorophenyl)propyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-pyridin-3-yl-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-(oxan-2-ylmethyl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one

2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[3-(4-fluorophenyl)propyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-pyridin-3-yl-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-(oxan-2-ylmethyl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one (PubChem CID 167640889) has the molecular formula C97H80F10N18O5 and a molecular weight of 1767.81 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[3-(4-fluorophenyl)propyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-pyridin-3-yl-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-(oxan-2-ylmethyl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one.

Molecular Properties

• Compound Name: 2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[3-(4-fluorophenyl)propyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-pyridin-3-yl-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-(oxan-2-ylmethyl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one
• PubChem CID: 167640889
• Molecular Formula: C97H80F10N18O5
• Molecular Weight: 1767.81 g/mol
• Exact Mass: 1766.64
• IUPAC Name: 2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[3-(4-fluorophenyl)propyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-pyridin-3-yl-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-(oxan-2-ylmethyl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one
• SMILES: O=c1c(CC2CCCCO2)c(-c2ccc(C(F)(F)F)cc2)[nH]n1-c1nc2ccccc2[nH]1.O=c1c(CCc2ccc(F)cc2)c(-c2ccc(C(F)(F)F)cn2)[nH]n1-c1nc2ccccc2[nH]1.O=c1c(CCc2ccc(F)cc2)c(-c2cccnc2)[nH]n1-c1nc2ccccc2[nH]1.O=c1c(CCc2ccc(F)cc2)c(CCCc2ccc(F)cc2)[nH]n1-c1nc2ccccc2[nH]1
• InChI: InChI=1S/C27H24F2N4O.C24H17F4N5O.C23H21F3N4O2.C23H18FN5O/c28-20-13-8-18(9-14-20)4-3-7-23-22(17-12-19-10-15-21(29)16-11-19)26(34)33(32-23)27-30-24-5-1-2-6-25(24)31-27;25-16-9-5-14(6-10-16)7-11-17-21(20-12-8-15(13-29-20)24(26,27)28)32-33(22(17)34)23-30-18-3-1-2-4-19(18)31-23;24-23(25,26)15-10-8-14(9-11-15)20-17(13-16-5-3-4-12-32-16)21(31)30(29-20)22-27-18-6-1-2-7-19(18)28-22;24-17-10-7-15(8-11-17)9-12-18-21(16-4-3-13-25-14-16)28-29(22(18)30)23-26-19-5-1-2-6-20(19)27-23/h1-2,5-6,8-11,13-16,32H,3-4,7,12,17H2,(H,30,31);1-6,8-10,12-13,32H,7,11H2,(H,30,31);1-2,6-11,16,29H,3-5,12-13H2,(H,27,28);1-8,10-11,13-14,28H,9,12H2,(H,26,27)
• InChIKey: LYZAETIJZGUDJK-UHFFFAOYSA-N
• XLogP: 19.20
• TPSA: 300.89 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 15
• Rotatable Bonds: 22
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1767.81
LogP ≤ 5	19.20
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[3-(4-fluorophenyl)propyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-pyridin-3-yl-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-(oxan-2-ylmethyl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one?

The IUPAC name of 2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[3-(4-fluorophenyl)propyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-pyridin-3-yl-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-(oxan-2-ylmethyl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one (CID 167640889) is 2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[3-(4-fluorophenyl)propyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-pyridin-3-yl-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-(oxan-2-ylmethyl)-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-[3-(4-fluorophenyl)propyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-pyridin-3-yl-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-(oxan-2-ylmethyl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one?

The canonical SMILES for 2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[3-(4-fluorophenyl)propyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-pyridin-3-yl-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-(oxan-2-ylmethyl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one is O=c1c(CC2CCCCO2)c(-c2ccc(C(F)(F)F)cc2)[nH]n1-c1nc2ccccc2[nH]1.O=c1c(CCc2ccc(F)cc2)c(-c2ccc(C(F)(F)F)cn2)[nH]n1-c1nc2ccccc2[nH]1.O=c1c(CCc2ccc(F)cc2)c(-c2cccnc2)[nH]n1-c1nc2ccccc2[nH]1.O=c1c(CCc2ccc(F)cc2)c(CCCc2ccc(F)cc2)[nH]n1-c1nc2ccccc2[nH]1.

What is the InChIKey of 2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[3-(4-fluorophenyl)propyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-pyridin-3-yl-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-(oxan-2-ylmethyl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one?

The InChIKey is LYZAETIJZGUDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F2N4O.C24H17F4N5O.C23H21F3N4O2.C23H18FN5O/c28-20-13-8-18(9-14-20)4-3-7-23-22(17-12-19-10-15-21(29)16-11-19)26(34)33(32-23)27-30-24-5-1-2-6-25(24)31-27;25-16-9-5-14(6-10-16)7-11-17-21(20-12-8-15(13-29-20)24(26,27)28)32-33(22(17)34)23-30-18-3-1-2-4-19(18)31-23;24-23(25,26)15-10-8-14(9-11-15)20-17(13-16-5-3-4-12-32-16)21(31)30(29-20)22-27-18-6-1-2-7-19(18)28-22;24-17-10-7-15(8-11-17)9-12-18-21(16-4-3-13-25-14-16)28-29(22(18)30)23-26-19-5-1-2-6-20(19)27-23/h1-2,5-6,8-11,13-16,32H,3-4,7,12,17H2,(H,30,31);1-6,8-10,12-13,32H,7,11H2,(H,30,31);1-2,6-11,16,29H,3-5,12-13H2,(H,27,28);1-8,10-11,13-14,28H,9,12H2,(H,26,27).

What are the key properties of 2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[3-(4-fluorophenyl)propyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-pyridin-3-yl-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-(oxan-2-ylmethyl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one?

2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[3-(4-fluorophenyl)propyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-pyridin-3-yl-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-(oxan-2-ylmethyl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one has a molecular weight of 1767.81 g/mol, XLogP of 19.20, 22 rotatable bonds, 8 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[3-(4-fluorophenyl)propyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-pyridin-3-yl-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-(oxan-2-ylmethyl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one is sourced from PubChem (CID 167640889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).