2-(1H-benzimidazol-2-yl)-4-[2-(3-chloro-4-fluorophenyl)ethyl]-5-pyrazin-2-yl-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-(oxan-4-yl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-pyridin-4-yl-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-prop-2-enyl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one

C88H72ClF6N19O5 — CID 167681126

About 2-(1H-benzimidazol-2-yl)-4-[2-(3-chloro-4-fluorophenyl)ethyl]-5-pyrazin-2-yl-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-(oxan-4-yl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-pyridin-4-yl-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-prop-2-enyl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one

2-(1H-benzimidazol-2-yl)-4-[2-(3-chloro-4-fluorophenyl)ethyl]-5-pyrazin-2-yl-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-(oxan-4-yl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-pyridin-4-yl-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-prop-2-enyl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one (PubChem CID 167681126) has the molecular formula C88H72ClF6N19O5 and a molecular weight of 1625.11 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-4-[2-(3-chloro-4-fluorophenyl)ethyl]-5-pyrazin-2-yl-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-(oxan-4-yl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-pyridin-4-yl-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-prop-2-enyl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one.

Molecular Properties

• Compound Name: 2-(1H-benzimidazol-2-yl)-4-[2-(3-chloro-4-fluorophenyl)ethyl]-5-pyrazin-2-yl-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-(oxan-4-yl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-pyridin-4-yl-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-prop-2-enyl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one
• PubChem CID: 167681126
• Molecular Formula: C88H72ClF6N19O5
• Molecular Weight: 1625.11 g/mol
• Exact Mass: 1623.56
• IUPAC Name: 2-(1H-benzimidazol-2-yl)-4-[2-(3-chloro-4-fluorophenyl)ethyl]-5-pyrazin-2-yl-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-(oxan-4-yl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-pyridin-4-yl-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-prop-2-enyl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one
• SMILES: C=CCc1c(-c2ccc(C(F)(F)F)cc2)[nH]n(-c2nc3ccccc3[nH]2)c1=O.O=c1c(CCc2ccc(F)c(Cl)c2)c(-c2cnccn2)[nH]n1-c1nc2ccccc2[nH]1.O=c1c(CCc2ccc(F)cc2)c(-c2ccncc2)[nH]n1-c1nc2ccccc2[nH]1.O=c1c(CCc2ccc(F)cc2)c(C2CCOCC2)[nH]n1-c1nc2ccccc2[nH]1
• InChI: InChI=1S/C23H18FN5O.C23H23FN4O2.C22H16ClFN6O.C20H15F3N4O/c24-17-8-5-15(6-9-17)7-10-18-21(16-11-13-25-14-12-16)28-29(22(18)30)23-26-19-3-1-2-4-20(19)27-23;24-17-8-5-15(6-9-17)7-10-18-21(16-11-13-30-14-12-16)27-28(22(18)29)23-25-19-3-1-2-4-20(19)26-23;23-15-11-13(6-8-16(15)24)5-7-14-20(19-12-25-9-10-26-19)29-30(21(14)31)22-27-17-3-1-2-4-18(17)28-22;1-2-5-14-17(12-8-10-13(11-9-12)20(21,22)23)26-27(18(14)28)19-24-15-6-3-4-7-16(15)25-19/h1-6,8-9,11-14,28H,7,10H2,(H,26,27);1-6,8-9,16,27H,7,10-14H2,(H,25,26);1-4,6,8-12,29H,5,7H2,(H,27,28);2-4,6-11,26H,1,5H2,(H,24,25)
• InChIKey: MBOADIMTIAPAGG-UHFFFAOYSA-N
• XLogP: 16.42
• TPSA: 313.78 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 16
• Rotatable Bonds: 19
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1625.11
LogP ≤ 5	16.42
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-(1H-benzimidazol-2-yl)-4-[2-(3-chloro-4-fluorophenyl)ethyl]-5-pyrazin-2-yl-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-(oxan-4-yl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-pyridin-4-yl-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-prop-2-enyl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one (CID 167681126) is 2-(1H-benzimidazol-2-yl)-4-[2-(3-chloro-4-fluorophenyl)ethyl]-5-pyrazin-2-yl-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-(oxan-4-yl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-pyridin-4-yl-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-prop-2-enyl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one.

What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-4-[2-(3-chloro-4-fluorophenyl)ethyl]-5-pyrazin-2-yl-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-(oxan-4-yl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-pyridin-4-yl-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-prop-2-enyl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one?

The canonical SMILES for 2-(1H-benzimidazol-2-yl)-4-[2-(3-chloro-4-fluorophenyl)ethyl]-5-pyrazin-2-yl-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-(oxan-4-yl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-pyridin-4-yl-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-prop-2-enyl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one is C=CCc1c(-c2ccc(C(F)(F)F)cc2)[nH]n(-c2nc3ccccc3[nH]2)c1=O.O=c1c(CCc2ccc(F)c(Cl)c2)c(-c2cnccn2)[nH]n1-c1nc2ccccc2[nH]1.O=c1c(CCc2ccc(F)cc2)c(-c2ccncc2)[nH]n1-c1nc2ccccc2[nH]1.O=c1c(CCc2ccc(F)cc2)c(C2CCOCC2)[nH]n1-c1nc2ccccc2[nH]1.

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

The InChIKey is MBOADIMTIAPAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN5O.C23H23FN4O2.C22H16ClFN6O.C20H15F3N4O/c24-17-8-5-15(6-9-17)7-10-18-21(16-11-13-25-14-12-16)28-29(22(18)30)23-26-19-3-1-2-4-20(19)27-23;24-17-8-5-15(6-9-17)7-10-18-21(16-11-13-30-14-12-16)27-28(22(18)29)23-25-19-3-1-2-4-20(19)26-23;23-15-11-13(6-8-16(15)24)5-7-14-20(19-12-25-9-10-26-19)29-30(21(14)31)22-27-17-3-1-2-4-18(17)28-22;1-2-5-14-17(12-8-10-13(11-9-12)20(21,22)23)26-27(18(14)28)19-24-15-6-3-4-7-16(15)25-19/h1-6,8-9,11-14,28H,7,10H2,(H,26,27);1-6,8-9,16,27H,7,10-14H2,(H,25,26);1-4,6,8-12,29H,5,7H2,(H,27,28);2-4,6-11,26H,1,5H2,(H,24,25).

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

2-(1H-benzimidazol-2-yl)-4-[2-(3-chloro-4-fluorophenyl)ethyl]-5-pyrazin-2-yl-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-(oxan-4-yl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-pyridin-4-yl-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-prop-2-enyl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one has a molecular weight of 1625.11 g/mol, XLogP of 16.42, 19 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1H-benzimidazol-2-yl)-4-[2-(3-chloro-4-fluorophenyl)ethyl]-5-pyrazin-2-yl-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-(oxan-4-yl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-pyridin-4-yl-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-prop-2-enyl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one is sourced from PubChem (CID 167681126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).