3-[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]-1-methylpyridin-2-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-(piperidin-4-ylmethyl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one

C71H59F8N15O4 — CID 167625331

IUPAC3-[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]-1-methylpyridin-2-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-(piperidin-4-ylmethyl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one
SMILESCn1cccc(-c2[nH]n(-c3nc4ccccc4[nH]3)c(=O)c2CCc2ccc(F)cc2)c1=O.O=c1c(CC2CCNCC2)c(-c2ccc(C(F)(F)F)cc2)[nH]n1-c1nc2ccccc2[nH]1.O=c1c(CCc2ccc(F)cc2)c(-c2ccc(C(F)(F)F)nc2)[nH]n1-c1nc2ccccc2[nH]1
InChIInChI=1S/C24H17F4N5O.C24H20FN5O2.C23H22F3N5O/c25-16-9-5-14(6-10-16)7-11-17-21(15-8-12-20(29-13-15)24(26,27)28)32-33(22(17)34)23-30-18-3-1-2-4-19(18)31-23;1-29-14-4-5-17(22(29)31)21-18(13-10-15-8-11-16(25)12-9-15)23(32)30(28-21)24-26-19-6-2-3-7-20(19)27-24;24-23(25,26)16-7-5-15(6-8-16)20-17(13-14-9-11-27-12-10-14)21(32)31(30-20)22-28-18-3-1-2-4-19(18)29-22/h1-6,8-10,12-13,32H,7,11H2,(H,30,31);2-9,11-12,14,28H,10,13H2,1H3,(H,26,27);1-8,14,27,30H,9-13H2,(H,28,29)
InChIKeySHNXEPSYKFPTDR-UHFFFAOYSA-N
MW1338.34 g/mol
LogP12.65
Rot. Bonds14

About 3-[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]-1-methylpyridin-2-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-(piperidin-4-ylmethyl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one

3-[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]-1-methylpyridin-2-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-(piperidin-4-ylmethyl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one (PubChem CID 167625331) has the molecular formula C71H59F8N15O4 and a molecular weight of 1338.34 g/mol. Its IUPAC name is 3-[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]-1-methylpyridin-2-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-(piperidin-4-ylmethyl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one.

Molecular Properties

Compound Name3-[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]-1-methylpyridin-2-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-(piperidin-4-ylmethyl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one
PubChem CID167625331
Molecular FormulaC71H59F8N15O4
Molecular Weight1338.34 g/mol
Exact Mass1337.47
IUPAC Name3-[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]-1-methylpyridin-2-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-(piperidin-4-ylmethyl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one
SMILESCn1cccc(-c2[nH]n(-c3nc4ccccc4[nH]3)c(=O)c2CCc2ccc(F)cc2)c1=O.O=c1c(CC2CCNCC2)c(-c2ccc(C(F)(F)F)cc2)[nH]n1-c1nc2ccccc2[nH]1.O=c1c(CCc2ccc(F)cc2)c(-c2ccc(C(F)(F)F)nc2)[nH]n1-c1nc2ccccc2[nH]1
InChIInChI=1S/C24H17F4N5O.C24H20FN5O2.C23H22F3N5O/c25-16-9-5-14(6-10-16)7-11-17-21(15-8-12-20(29-13-15)24(26,27)28)32-33(22(17)34)23-30-18-3-1-2-4-19(18)31-23;1-29-14-4-5-17(22(29)31)21-18(13-10-15-8-11-16(25)12-9-15)23(32)30(28-21)24-26-19-6-2-3-7-20(19)27-24;24-23(25,26)16-7-5-15(6-8-16)20-17(13-14-9-11-27-12-10-14)21(32)31(30-20)22-28-18-3-1-2-4-19(18)29-22/h1-6,8-10,12-13,32H,7,11H2,(H,30,31);2-9,11-12,14,28H,10,13H2,1H3,(H,26,27);1-8,14,27,30H,9-13H2,(H,28,29)
InChIKeySHNXEPSYKFPTDR-UHFFFAOYSA-N
XLogP12.65
TPSA246.33 Ų
H-Bond Donors7
H-Bond Acceptors13
Rotatable Bonds14
Heavy Atoms98
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001338.34
LogP ≤ 512.65
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1013

Analyze 3-[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]-1-methylpyridin-2-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-(piperidin-4-ylmethyl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one with MolForge

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Related Compounds

2-(1H-benzimidazol-2-yl)-4-(2-pyridin-4-ylethyl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one
CID 146485441
2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[[1-(pyrazine-2-carbonyl)piperidin-4-yl]methyl]-1H-pyrazol-3-one
CID 146485442
2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[(4-pyridylmethylamino)methyl]pyrazol-3-ol
CID 146568860
2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[(pyridin-3-ylmethylamino)methyl]-1H-pyrazol-3-one
CID 146568861
2-(1H-benzimidazol-2-yl)-4-[2-(2-pyridyl)ethyl]-5-[5-(trifluoromethyl)-2-pyridyl]pyrazol-3-ol
CID 146568889
1-[4-[2-[1-(1H-benzimidazol-2-yl)-5-hydroxy-3-[5-(trifluoromethyl)-2-pyridyl]pyrazol-4-yl]ethyl]-1-piperidyl]ethanone
CID 146568895
methyl 4-[2-[1-(1H-benzimidazol-2-yl)-5-hydroxy-3-[5-(trifluoromethyl)-2-pyridyl]pyrazol-4-yl]ethyl]piperidine-1-carboxylate
CID 146568897
2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-3-one
CID 146568911
2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(2-pyridin-4-ylacetyl)pyrrolidin-2-yl]-1H-pyrazol-3-one
CID 146568915
4-[2-(4-fluorophenyl)ethyl]-2-(3H-imidazo[4,5-c]pyridin-2-yl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one
CID 146569062
2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-pyridin-3-yl-1H-pyrazol-3-one
CID 146569196
2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-3-one
CID 146569202

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]-1-methylpyridin-2-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-(piperidin-4-ylmethyl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one?
The IUPAC name of 3-[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]-1-methylpyridin-2-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-(piperidin-4-ylmethyl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one (CID 167625331) is 3-[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]-1-methylpyridin-2-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-(piperidin-4-ylmethyl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one.
What is the SMILES notation for 3-[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]-1-methylpyridin-2-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-(piperidin-4-ylmethyl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one?
The canonical SMILES for 3-[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]-1-methylpyridin-2-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-(piperidin-4-ylmethyl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one is Cn1cccc(-c2[nH]n(-c3nc4ccccc4[nH]3)c(=O)c2CCc2ccc(F)cc2)c1=O.O=c1c(CC2CCNCC2)c(-c2ccc(C(F)(F)F)cc2)[nH]n1-c1nc2ccccc2[nH]1.O=c1c(CCc2ccc(F)cc2)c(-c2ccc(C(F)(F)F)nc2)[nH]n1-c1nc2ccccc2[nH]1.
What is the InChIKey of 3-[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]-1-methylpyridin-2-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-(piperidin-4-ylmethyl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one?
The InChIKey is SHNXEPSYKFPTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F4N5O.C24H20FN5O2.C23H22F3N5O/c25-16-9-5-14(6-10-16)7-11-17-21(15-8-12-20(29-13-15)24(26,27)28)32-33(22(17)34)23-30-18-3-1-2-4-19(18)31-23;1-29-14-4-5-17(22(29)31)21-18(13-10-15-8-11-16(25)12-9-15)23(32)30(28-21)24-26-19-6-2-3-7-20(19)27-24;24-23(25,26)16-7-5-15(6-8-16)20-17(13-14-9-11-27-12-10-14)21(32)31(30-20)22-28-18-3-1-2-4-19(18)29-22/h1-6,8-10,12-13,32H,7,11H2,(H,30,31);2-9,11-12,14,28H,10,13H2,1H3,(H,26,27);1-8,14,27,30H,9-13H2,(H,28,29).
What are the key properties of 3-[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]-1-methylpyridin-2-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-(piperidin-4-ylmethyl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one?
3-[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]-1-methylpyridin-2-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-(piperidin-4-ylmethyl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one has a molecular weight of 1338.34 g/mol, XLogP of 12.65, 14 rotatable bonds, 7 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]-1-methylpyridin-2-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-(piperidin-4-ylmethyl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one is sourced from PubChem (CID 167625331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).