2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(2-pyridin-4-ylacetyl)piperidin-4-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-(2-hydroxyethyl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-2-(1-methylbenzimidazol-2-yl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one

C102H94F9N19O8 — CID 167556535

IUPAC2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(2-pyridin-4-ylacetyl)piperidin-4-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-(2-hydroxyethyl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-2-(1-methylbenzimidazol-2-yl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one
SMILESCC(C)(O)C(=O)N1CCC(c2[nH]n(-c3nc4ccccc4[nH]3)c(=O)c2CCc2ccc(F)cc2)CC1.Cn1c(-n2[nH]c(-c3ccc(C(F)(F)F)cc3)c(CCc3ccc(F)cc3)c2=O)nc2ccccc21.O=C(Cc1ccncc1)N1CCC(c2[nH]n(-c3nc4ccccc4[nH]3)c(=O)c2CCc2ccc(F)cc2)CC1.O=c1c(CCO)c(-c2ccc(C(F)(F)F)cc2)[nH]n1-c1nc2ccccc2[nH]1
InChIInChI=1S/C30H29FN6O2.C27H30FN5O3.C26H20F4N4O.C19H15F3N4O2/c31-23-8-5-20(6-9-23)7-10-24-28(35-37(29(24)39)30-33-25-3-1-2-4-26(25)34-30)22-13-17-36(18-14-22)27(38)19-21-11-15-32-16-12-21;1-27(2,36)25(35)32-15-13-18(14-16-32)23-20(12-9-17-7-10-19(28)11-8-17)24(34)33(31-23)26-29-21-5-3-4-6-22(21)30-26;1-33-22-5-3-2-4-21(22)31-25(33)34-24(35)20(15-8-16-6-13-19(27)14-7-16)23(32-34)17-9-11-18(12-10-17)26(28,29)30;20-19(21,22)12-7-5-11(6-8-12)16-13(9-10-27)17(28)26(25-16)18-23-14-3-1-2-4-15(14)24-18/h1-6,8-9,11-12,15-16,22,35H,7,10,13-14,17-19H2,(H,33,34);3-8,10-11,18,31,36H,9,12-16H2,1-2H3,(H,29,30);2-7,9-14,32H,8,15H2,1H3;1-8,25,27H,9-10H2,(H,23,24)
InChIKeyHYOVRFOYRHNGDS-UHFFFAOYSA-N
MW1884.98 g/mol
LogP16.68
Rot. Bonds22

About 2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(2-pyridin-4-ylacetyl)piperidin-4-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-(2-hydroxyethyl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-2-(1-methylbenzimidazol-2-yl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one

2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(2-pyridin-4-ylacetyl)piperidin-4-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-(2-hydroxyethyl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-2-(1-methylbenzimidazol-2-yl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one (PubChem CID 167556535) has the molecular formula C102H94F9N19O8 and a molecular weight of 1884.98 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(2-pyridin-4-ylacetyl)piperidin-4-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-(2-hydroxyethyl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-2-(1-methylbenzimidazol-2-yl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(2-pyridin-4-ylacetyl)piperidin-4-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-(2-hydroxyethyl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-2-(1-methylbenzimidazol-2-yl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one
PubChem CID167556535
Molecular FormulaC102H94F9N19O8
Molecular Weight1884.98 g/mol
Exact Mass1883.74
IUPAC Name2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(2-pyridin-4-ylacetyl)piperidin-4-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-(2-hydroxyethyl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-2-(1-methylbenzimidazol-2-yl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one
SMILESCC(C)(O)C(=O)N1CCC(c2[nH]n(-c3nc4ccccc4[nH]3)c(=O)c2CCc2ccc(F)cc2)CC1.Cn1c(-n2[nH]c(-c3ccc(C(F)(F)F)cc3)c(CCc3ccc(F)cc3)c2=O)nc2ccccc21.O=C(Cc1ccncc1)N1CCC(c2[nH]n(-c3nc4ccccc4[nH]3)c(=O)c2CCc2ccc(F)cc2)CC1.O=c1c(CCO)c(-c2ccc(C(F)(F)F)cc2)[nH]n1-c1nc2ccccc2[nH]1
InChIInChI=1S/C30H29FN6O2.C27H30FN5O3.C26H20F4N4O.C19H15F3N4O2/c31-23-8-5-20(6-9-23)7-10-24-28(35-37(29(24)39)30-33-25-3-1-2-4-26(25)34-30)22-13-17-36(18-14-22)27(38)19-21-11-15-32-16-12-21;1-27(2,36)25(35)32-15-13-18(14-16-32)23-20(12-9-17-7-10-19(28)11-8-17)24(34)33(31-23)26-29-21-5-3-4-6-22(21)30-26;1-33-22-5-3-2-4-21(22)31-25(33)34-24(35)20(15-8-16-6-13-19(27)14-7-16)23(32-34)17-9-11-18(12-10-17)26(28,29)30;20-19(21,22)12-7-5-11(6-8-12)16-13(9-10-27)17(28)26(25-16)18-23-14-3-1-2-4-15(14)24-18/h1-6,8-9,11-12,15-16,22,35H,7,10,13-14,17-19H2,(H,33,34);3-8,10-11,18,31,36H,9,12-16H2,1-2H3,(H,29,30);2-7,9-14,32H,8,15H2,1H3;1-8,25,27H,9-10H2,(H,23,24)
InChIKeyHYOVRFOYRHNGDS-UHFFFAOYSA-N
XLogP16.68
TPSA348.99 Ų
H-Bond Donors9
H-Bond Acceptors18
Rotatable Bonds22
Heavy Atoms138
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001884.98
LogP ≤ 516.68
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1018

Analyze 2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(2-pyridin-4-ylacetyl)piperidin-4-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-(2-hydroxyethyl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-2-(1-methylbenzimidazol-2-yl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one with MolForge

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Related Compounds

2-(1H-benzimidazol-2-yl)-5-[1-[(2S,3R)-3-[[1-[2-[2-(1H-benzimidazol-2-yl)-3-oxo-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]ethyl]-2-hydroxypyrrolidin-3-yl]methyl]-2-hydroxypentanoyl]piperidin-4-yl]-4-[2-(4-fluorophenyl)ethyl]-1H-pyrazol-3-one
CID 146569060
5-(1-acetylpiperidin-3-yl)-2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-(2-morpholin-4-ylethyl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-(2-pyridin-4-ylethyl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;benzyl 4-[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]piperidine-1-carboxylate
CID 167533613
4-[[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]methyl]-1-phenylpiperazin-2-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[(pyridin-3-ylmethylamino)methyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[(pyridin-4-ylmethylamino)methyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;tert-butyl 4-[[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]methyl]piperazine-1-carboxylate
CID 167565516
2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-(1-methylpiperidin-4-yl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1H-pyrazol-3-one;tert-butyl 4-[2-(1H-benzimidazol-2-yl)-4-[(3,4-difluorophenyl)methyl]-3-oxo-1H-pyrazol-5-yl]piperidine-1-carboxylate;tert-butyl 3-[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]piperidine-1-carboxylate
CID 167582108
2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]methyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[[1-[2-(4-methylpiperazin-1-yl)acetyl]piperidin-4-yl]methyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-(piperidin-3-ylmethyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[[1-[2-(pyridin-4-ylmethoxy)acetyl]piperidin-4-yl]methyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1H-pyrazol-3-one
CID 167591255
2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(pyrazine-2-carbonyl)piperidin-3-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(2-pyridin-4-ylacetyl)piperidin-3-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrazol-3-one
CID 167596484
5-(1-acetylpiperidin-4-yl)-2-(1H-benzimidazol-2-yl)-4-[(3,4-difluorophenyl)methyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-(morpholin-4-ylmethyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;tert-butyl N-[[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]methyl]carbamate
CID 167612195
4-[2-(1-acetylpiperidin-4-yl)ethyl]-2-(1H-benzimidazol-2-yl)-5-(4-fluorophenyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-cyclopropyl-4-[2-[1-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]piperidin-4-yl]ethyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-(4-fluorophenyl)-4-[[1-(2-hydroxy-2-methylpropanoyl)piperidin-3-yl]methyl]-1H-pyrazol-3-one
CID 167612511
2-(1H-benzimidazol-2-yl)-4-[(1-methylsulfonylpiperidin-4-yl)methyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;tert-butyl 4-[4-[2-(4-fluorophenyl)ethyl]-2-(3H-imidazo[4,5-c]pyridin-2-yl)-3-oxo-1H-pyrazol-5-yl]piperidine-1-carboxylate;ethyl 2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazole-5-carboxylate;4-[2-(4-fluorophenyl)ethyl]-2-(3H-imidazo[4,5-c]pyridin-2-yl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one
CID 167616605
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
2-(1H-benzimidazol-2-yl)-4-(cyclopentylmethyl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-(methoxymethyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-(2-piperidin-4-ylethyl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;2-hydroxypropan-2-yl 4-[2-[2-(1H-benzimidazol-2-yl)-3-oxo-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]ethyl]piperidine-1-carboxylate
CID 167625988
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

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(2-pyridin-4-ylacetyl)piperidin-4-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-(2-hydroxyethyl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-2-(1-methylbenzimidazol-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-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(2-pyridin-4-ylacetyl)piperidin-4-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-(2-hydroxyethyl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-2-(1-methylbenzimidazol-2-yl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one (CID 167556535) is 2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(2-pyridin-4-ylacetyl)piperidin-4-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-(2-hydroxyethyl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-2-(1-methylbenzimidazol-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-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(2-pyridin-4-ylacetyl)piperidin-4-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-(2-hydroxyethyl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-2-(1-methylbenzimidazol-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-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(2-pyridin-4-ylacetyl)piperidin-4-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-(2-hydroxyethyl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-2-(1-methylbenzimidazol-2-yl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one is CC(C)(O)C(=O)N1CCC(c2[nH]n(-c3nc4ccccc4[nH]3)c(=O)c2CCc2ccc(F)cc2)CC1.Cn1c(-n2[nH]c(-c3ccc(C(F)(F)F)cc3)c(CCc3ccc(F)cc3)c2=O)nc2ccccc21.O=C(Cc1ccncc1)N1CCC(c2[nH]n(-c3nc4ccccc4[nH]3)c(=O)c2CCc2ccc(F)cc2)CC1.O=c1c(CCO)c(-c2ccc(C(F)(F)F)cc2)[nH]n1-c1nc2ccccc2[nH]1.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(2-pyridin-4-ylacetyl)piperidin-4-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-(2-hydroxyethyl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-2-(1-methylbenzimidazol-2-yl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one?
The InChIKey is HYOVRFOYRHNGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29FN6O2.C27H30FN5O3.C26H20F4N4O.C19H15F3N4O2/c31-23-8-5-20(6-9-23)7-10-24-28(35-37(29(24)39)30-33-25-3-1-2-4-26(25)34-30)22-13-17-36(18-14-22)27(38)19-21-11-15-32-16-12-21;1-27(2,36)25(35)32-15-13-18(14-16-32)23-20(12-9-17-7-10-19(28)11-8-17)24(34)33(31-23)26-29-21-5-3-4-6-22(21)30-26;1-33-22-5-3-2-4-21(22)31-25(33)34-24(35)20(15-8-16-6-13-19(27)14-7-16)23(32-34)17-9-11-18(12-10-17)26(28,29)30;20-19(21,22)12-7-5-11(6-8-12)16-13(9-10-27)17(28)26(25-16)18-23-14-3-1-2-4-15(14)24-18/h1-6,8-9,11-12,15-16,22,35H,7,10,13-14,17-19H2,(H,33,34);3-8,10-11,18,31,36H,9,12-16H2,1-2H3,(H,29,30);2-7,9-14,32H,8,15H2,1H3;1-8,25,27H,9-10H2,(H,23,24).
What are the key properties of 2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(2-pyridin-4-ylacetyl)piperidin-4-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-(2-hydroxyethyl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-2-(1-methylbenzimidazol-2-yl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one?
2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(2-pyridin-4-ylacetyl)piperidin-4-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-(2-hydroxyethyl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-2-(1-methylbenzimidazol-2-yl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one has a molecular weight of 1884.98 g/mol, XLogP of 16.68, 22 rotatable bonds, 9 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(2-pyridin-4-ylacetyl)piperidin-4-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-(2-hydroxyethyl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-2-(1-methylbenzimidazol-2-yl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one is sourced from PubChem (CID 167556535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).