2-(1H-benzimidazol-2-yl)-5-(5-bromo-3-pyridinyl)-4-[2-(4-fluorophenyl)ethyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[(3,4-difluorophenyl)methyl]-5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-piperidin-3-yl-1H-pyrazol-3-one;2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one

C95H80BrClF11N19O4 — CID 167632416

IUPAC2-(1H-benzimidazol-2-yl)-5-(5-bromo-3-pyridinyl)-4-[2-(4-fluorophenyl)ethyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[(3,4-difluorophenyl)methyl]-5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-piperidin-3-yl-1H-pyrazol-3-one;2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one
SMILESO=c1c(CCc2ccc(F)cc2)c(-c2ccc(C(F)(F)F)cc2)[nH]n1-c1nc2ccc(Cl)cc2[nH]1.O=c1c(CCc2ccc(F)cc2)c(-c2cncc(Br)c2)[nH]n1-c1nc2ccccc2[nH]1.O=c1c(CCc2ccc(F)cc2)c(C2CCCNC2)[nH]n1-c1nc2ccccc2[nH]1.O=c1c(Cc2ccc(F)c(F)c2)c(C2CCN(CC(F)(F)F)CC2)[nH]n1-c1nc2ccccc2[nH]1
InChIInChI=1S/C25H17ClF4N4O.C24H22F5N5O.C23H17BrFN5O.C23H24FN5O/c26-17-8-12-20-21(13-17)32-24(31-20)34-23(35)19(11-3-14-1-9-18(27)10-2-14)22(33-34)15-4-6-16(7-5-15)25(28,29)30;25-17-6-5-14(12-18(17)26)11-16-21(15-7-9-33(10-8-15)13-24(27,28)29)32-34(22(16)35)23-30-19-3-1-2-4-20(19)31-23;24-16-11-15(12-26-13-16)21-18(10-7-14-5-8-17(25)9-6-14)22(31)30(29-21)23-27-19-3-1-2-4-20(19)28-23;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/h1-2,4-10,12-13,33H,3,11H2,(H,31,32);1-6,12,15,32H,7-11,13H2,(H,30,31);1-6,8-9,11-13,29H,7,10H2,(H,27,28);1-2,5-8,10-11,16,25,28H,3-4,9,12-14H2,(H,26,27)
InChIKeyDDLVCWGGASILDJ-UHFFFAOYSA-N
MW1876.15 g/mol
LogP19.18
Rot. Bonds20

About 2-(1H-benzimidazol-2-yl)-5-(5-bromo-3-pyridinyl)-4-[2-(4-fluorophenyl)ethyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[(3,4-difluorophenyl)methyl]-5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-piperidin-3-yl-1H-pyrazol-3-one;2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one

2-(1H-benzimidazol-2-yl)-5-(5-bromo-3-pyridinyl)-4-[2-(4-fluorophenyl)ethyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[(3,4-difluorophenyl)methyl]-5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-piperidin-3-yl-1H-pyrazol-3-one;2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one (PubChem CID 167632416) has the molecular formula C95H80BrClF11N19O4 and a molecular weight of 1876.15 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-5-(5-bromo-3-pyridinyl)-4-[2-(4-fluorophenyl)ethyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[(3,4-difluorophenyl)methyl]-5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-piperidin-3-yl-1H-pyrazol-3-one;2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-5-(5-bromo-3-pyridinyl)-4-[2-(4-fluorophenyl)ethyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[(3,4-difluorophenyl)methyl]-5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-piperidin-3-yl-1H-pyrazol-3-one;2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one
PubChem CID167632416
Molecular FormulaC95H80BrClF11N19O4
Molecular Weight1876.15 g/mol
Exact Mass1873.53
IUPAC Name2-(1H-benzimidazol-2-yl)-5-(5-bromo-3-pyridinyl)-4-[2-(4-fluorophenyl)ethyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[(3,4-difluorophenyl)methyl]-5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-piperidin-3-yl-1H-pyrazol-3-one;2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one
SMILESO=c1c(CCc2ccc(F)cc2)c(-c2ccc(C(F)(F)F)cc2)[nH]n1-c1nc2ccc(Cl)cc2[nH]1.O=c1c(CCc2ccc(F)cc2)c(-c2cncc(Br)c2)[nH]n1-c1nc2ccccc2[nH]1.O=c1c(CCc2ccc(F)cc2)c(C2CCCNC2)[nH]n1-c1nc2ccccc2[nH]1.O=c1c(Cc2ccc(F)c(F)c2)c(C2CCN(CC(F)(F)F)CC2)[nH]n1-c1nc2ccccc2[nH]1
InChIInChI=1S/C25H17ClF4N4O.C24H22F5N5O.C23H17BrFN5O.C23H24FN5O/c26-17-8-12-20-21(13-17)32-24(31-20)34-23(35)19(11-3-14-1-9-18(27)10-2-14)22(33-34)15-4-6-16(7-5-15)25(28,29)30;25-17-6-5-14(12-18(17)26)11-16-21(15-7-9-33(10-8-15)13-24(27,28)29)32-34(22(16)35)23-30-19-3-1-2-4-20(19)31-23;24-16-11-15(12-26-13-16)21-18(10-7-14-5-8-17(25)9-6-14)22(31)30(29-21)23-27-19-3-1-2-4-20(19)28-23;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/h1-2,4-10,12-13,33H,3,11H2,(H,31,32);1-6,12,15,32H,7-11,13H2,(H,30,31);1-6,8-9,11-13,29H,7,10H2,(H,27,28);1-2,5-8,10-11,16,25,28H,3-4,9,12-14H2,(H,26,27)
InChIKeyDDLVCWGGASILDJ-UHFFFAOYSA-N
XLogP19.18
TPSA294.04 Ų
H-Bond Donors9
H-Bond Acceptors15
Rotatable Bonds20
Heavy Atoms131
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001876.15
LogP ≤ 519.18
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1015

Analyze 2-(1H-benzimidazol-2-yl)-5-(5-bromo-3-pyridinyl)-4-[2-(4-fluorophenyl)ethyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[(3,4-difluorophenyl)methyl]-5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-piperidin-3-yl-1H-pyrazol-3-one;2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-5-(5-bromo-3-pyridinyl)-4-[2-(4-fluorophenyl)ethyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[(3,4-difluorophenyl)methyl]-5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-piperidin-3-yl-1H-pyrazol-3-one;2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-5-(5-bromo-3-pyridinyl)-4-[2-(4-fluorophenyl)ethyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[(3,4-difluorophenyl)methyl]-5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-piperidin-3-yl-1H-pyrazol-3-one;2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one (CID 167632416) is 2-(1H-benzimidazol-2-yl)-5-(5-bromo-3-pyridinyl)-4-[2-(4-fluorophenyl)ethyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[(3,4-difluorophenyl)methyl]-5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-piperidin-3-yl-1H-pyrazol-3-one;2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-5-(5-bromo-3-pyridinyl)-4-[2-(4-fluorophenyl)ethyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[(3,4-difluorophenyl)methyl]-5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-piperidin-3-yl-1H-pyrazol-3-one;2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-5-(5-bromo-3-pyridinyl)-4-[2-(4-fluorophenyl)ethyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[(3,4-difluorophenyl)methyl]-5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-piperidin-3-yl-1H-pyrazol-3-one;2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one is O=c1c(CCc2ccc(F)cc2)c(-c2ccc(C(F)(F)F)cc2)[nH]n1-c1nc2ccc(Cl)cc2[nH]1.O=c1c(CCc2ccc(F)cc2)c(-c2cncc(Br)c2)[nH]n1-c1nc2ccccc2[nH]1.O=c1c(CCc2ccc(F)cc2)c(C2CCCNC2)[nH]n1-c1nc2ccccc2[nH]1.O=c1c(Cc2ccc(F)c(F)c2)c(C2CCN(CC(F)(F)F)CC2)[nH]n1-c1nc2ccccc2[nH]1.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-5-(5-bromo-3-pyridinyl)-4-[2-(4-fluorophenyl)ethyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[(3,4-difluorophenyl)methyl]-5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-piperidin-3-yl-1H-pyrazol-3-one;2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one?
The InChIKey is DDLVCWGGASILDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17ClF4N4O.C24H22F5N5O.C23H17BrFN5O.C23H24FN5O/c26-17-8-12-20-21(13-17)32-24(31-20)34-23(35)19(11-3-14-1-9-18(27)10-2-14)22(33-34)15-4-6-16(7-5-15)25(28,29)30;25-17-6-5-14(12-18(17)26)11-16-21(15-7-9-33(10-8-15)13-24(27,28)29)32-34(22(16)35)23-30-19-3-1-2-4-20(19)31-23;24-16-11-15(12-26-13-16)21-18(10-7-14-5-8-17(25)9-6-14)22(31)30(29-21)23-27-19-3-1-2-4-20(19)28-23;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/h1-2,4-10,12-13,33H,3,11H2,(H,31,32);1-6,12,15,32H,7-11,13H2,(H,30,31);1-6,8-9,11-13,29H,7,10H2,(H,27,28);1-2,5-8,10-11,16,25,28H,3-4,9,12-14H2,(H,26,27).
What are the key properties of 2-(1H-benzimidazol-2-yl)-5-(5-bromo-3-pyridinyl)-4-[2-(4-fluorophenyl)ethyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[(3,4-difluorophenyl)methyl]-5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-piperidin-3-yl-1H-pyrazol-3-one;2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one?
2-(1H-benzimidazol-2-yl)-5-(5-bromo-3-pyridinyl)-4-[2-(4-fluorophenyl)ethyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[(3,4-difluorophenyl)methyl]-5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-piperidin-3-yl-1H-pyrazol-3-one;2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one has a molecular weight of 1876.15 g/mol, XLogP of 19.18, 20 rotatable bonds, 9 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)-5-(5-bromo-3-pyridinyl)-4-[2-(4-fluorophenyl)ethyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[(3,4-difluorophenyl)methyl]-5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-piperidin-3-yl-1H-pyrazol-3-one;2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one is sourced from PubChem (CID 167632416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).