2-(1H-benzimidazol-2-yl)-4-[2-(4-chloropyrazol-1-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(2-methylimidazol-1-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(triazol-2-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;benzyl 4-[2-(1H-benzimidazol-2-yl)-3-oxo-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]piperidine-1-carboxylate

C96H77ClF12N24O6 — CID 167624682

IUPAC2-(1H-benzimidazol-2-yl)-4-[2-(4-chloropyrazol-1-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(2-methylimidazol-1-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(triazol-2-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;benzyl 4-[2-(1H-benzimidazol-2-yl)-3-oxo-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]piperidine-1-carboxylate
SMILESCc1nccn1CCc1c(-c2ccc(C(F)(F)F)cc2)[nH]n(-c2nc3ccccc3[nH]2)c1=O.O=C(OCc1ccccc1)N1CCC(c2c(-c3ccc(C(F)(F)F)cc3)[nH]n(-c3nc4ccccc4[nH]3)c2=O)CC1.O=c1c(CCn2cc(Cl)cn2)c(-c2ccc(C(F)(F)F)cc2)[nH]n1-c1nc2ccccc2[nH]1.O=c1c(CCn2nccn2)c(-c2ccc(C(F)(F)F)cc2)[nH]n1-c1nc2ccccc2[nH]1
InChIInChI=1S/C30H26F3N5O3.C23H19F3N6O.C22H16ClF3N6O.C21H16F3N7O/c31-30(32,33)22-12-10-21(11-13-22)26-25(27(39)38(36-26)28-34-23-8-4-5-9-24(23)35-28)20-14-16-37(17-15-20)29(40)41-18-19-6-2-1-3-7-19;1-14-27-11-13-31(14)12-10-17-20(15-6-8-16(9-7-15)23(24,25)26)30-32(21(17)33)22-28-18-4-2-3-5-19(18)29-22;23-15-11-27-31(12-15)10-9-16-19(13-5-7-14(8-6-13)22(24,25)26)30-32(20(16)33)21-28-17-3-1-2-4-18(17)29-21;22-21(23,24)14-7-5-13(6-8-14)18-15(9-12-30-25-10-11-26-30)19(32)31(29-18)20-27-16-3-1-2-4-17(16)28-20/h1-13,20,36H,14-18H2,(H,34,35);2-9,11,13,30H,10,12H2,1H3,(H,28,29);1-8,11-12,30H,9-10H2,(H,28,29);1-8,10-11,29H,9,12H2,(H,27,28)
InChIKeyPIYYXVYBBNAXKY-UHFFFAOYSA-N
MW1926.26 g/mol
LogP19.10
Rot. Bonds20

About 2-(1H-benzimidazol-2-yl)-4-[2-(4-chloropyrazol-1-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(2-methylimidazol-1-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(triazol-2-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;benzyl 4-[2-(1H-benzimidazol-2-yl)-3-oxo-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]piperidine-1-carboxylate

2-(1H-benzimidazol-2-yl)-4-[2-(4-chloropyrazol-1-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(2-methylimidazol-1-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(triazol-2-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;benzyl 4-[2-(1H-benzimidazol-2-yl)-3-oxo-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]piperidine-1-carboxylate (PubChem CID 167624682) has the molecular formula C96H77ClF12N24O6 and a molecular weight of 1926.26 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-4-[2-(4-chloropyrazol-1-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(2-methylimidazol-1-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(triazol-2-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;benzyl 4-[2-(1H-benzimidazol-2-yl)-3-oxo-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-4-[2-(4-chloropyrazol-1-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(2-methylimidazol-1-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(triazol-2-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;benzyl 4-[2-(1H-benzimidazol-2-yl)-3-oxo-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]piperidine-1-carboxylate
PubChem CID167624682
Molecular FormulaC96H77ClF12N24O6
Molecular Weight1926.26 g/mol
Exact Mass1924.60
IUPAC Name2-(1H-benzimidazol-2-yl)-4-[2-(4-chloropyrazol-1-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(2-methylimidazol-1-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(triazol-2-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;benzyl 4-[2-(1H-benzimidazol-2-yl)-3-oxo-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]piperidine-1-carboxylate
SMILESCc1nccn1CCc1c(-c2ccc(C(F)(F)F)cc2)[nH]n(-c2nc3ccccc3[nH]2)c1=O.O=C(OCc1ccccc1)N1CCC(c2c(-c3ccc(C(F)(F)F)cc3)[nH]n(-c3nc4ccccc4[nH]3)c2=O)CC1.O=c1c(CCn2cc(Cl)cn2)c(-c2ccc(C(F)(F)F)cc2)[nH]n1-c1nc2ccccc2[nH]1.O=c1c(CCn2nccn2)c(-c2ccc(C(F)(F)F)cc2)[nH]n1-c1nc2ccccc2[nH]1
InChIInChI=1S/C30H26F3N5O3.C23H19F3N6O.C22H16ClF3N6O.C21H16F3N7O/c31-30(32,33)22-12-10-21(11-13-22)26-25(27(39)38(36-26)28-34-23-8-4-5-9-24(23)35-28)20-14-16-37(17-15-20)29(40)41-18-19-6-2-1-3-7-19;1-14-27-11-13-31(14)12-10-17-20(15-6-8-16(9-7-15)23(24,25)26)30-32(21(17)33)22-28-18-4-2-3-5-19(18)29-22;23-15-11-27-31(12-15)10-9-16-19(13-5-7-14(8-6-13)22(24,25)26)30-32(20(16)33)21-28-17-3-1-2-4-18(17)29-21;22-21(23,24)14-7-5-13(6-8-14)18-15(9-12-30-25-10-11-26-30)19(32)31(29-18)20-27-16-3-1-2-4-17(16)28-20/h1-13,20,36H,14-18H2,(H,34,35);2-9,11,13,30H,10,12H2,1H3,(H,28,29);1-8,11-12,30H,9-10H2,(H,28,29);1-8,10-11,29H,9,12H2,(H,27,28)
InChIKeyPIYYXVYBBNAXKY-UHFFFAOYSA-N
XLogP19.10
TPSA361.77 Ų
H-Bond Donors8
H-Bond Acceptors21
Rotatable Bonds20
Heavy Atoms139
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001926.26
LogP ≤ 519.10
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1021

Analyze 2-(1H-benzimidazol-2-yl)-4-[2-(4-chloropyrazol-1-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(2-methylimidazol-1-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(triazol-2-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;benzyl 4-[2-(1H-benzimidazol-2-yl)-3-oxo-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

benzyl N-(1-methylpyrrol-3-yl)carbamate;5-chloro-1-methylpyridin-2-one;1,2-dimethylimidazole;1,4-dimethylimidazole;2,5-dimethyl-1H-imidazole;N,N-dimethyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine;3,5-dimethyl-1,2,4-oxadiazole;1,4-dimethylpyridin-2-one;2-ethyl-1-methylimidazole;1-methylbenzimidazole;3-methylimidazo[4,5-b]pyridine;1-methylimidazole;2-methyl-1H-imidazole;2-(1-methylimidazol-4-yl)ethanamine;1-methylindazole;1-methyl-4-phenylimidazole;1-methylpyrazole;1-methyltetrazole;5-methyl-2H-tetrazole;1-methyl-5-(trifluoromethyl)pyridin-2-one;1-methyl-5-(trifluoromethyl)tetrazole;1,2,4-trimethylimidazole;1,3,5-trimethylpyrazole
CID 157314289
benzyl N-(1-methylpyrrol-3-yl)carbamate;5-chloro-1-methylpyridin-2-one;1,2-dimethylimidazole;2,5-dimethyl-1H-imidazole;N,N-dimethyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine;3,5-dimethyl-1,2,4-oxadiazole;1,4-dimethylpyridin-2-one;3,5-dimethyl-3H-pyrrole;2-ethyl-1-methylimidazole;1-methylbenzimidazole;1-methylbenzotriazole;3-methylimidazo[4,5-b]pyridine;1-methylimidazole;2-methyl-1H-imidazole;2-(1-methylimidazol-4-yl)ethanamine;1-methyl-4-phenylimidazole;1-methylpyrazole;1-methyltetrazole;5-methyl-2H-tetrazole;1-methyl-5-(trifluoromethyl)pyridin-2-one;1-methyl-5-(trifluoromethyl)tetrazole;1,2,4-trimethylimidazole;1,3,5-trimethylpyrazole
CID 157381190
benzyl N-(1-methylpyrrol-3-yl)carbamate;5-chloro-1-methylpyridin-2-one;1,2-dimethylimidazole;1,4-dimethylimidazole;2,5-dimethyl-1H-imidazole;N,N-dimethyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine;3,5-dimethyl-1,2,4-oxadiazole;1,4-dimethylpyridin-2-one;2-ethyl-1-methylimidazole;1-methylbenzimidazole;1-methylbenzotriazole;3-methylimidazo[4,5-b]pyridine;1-methylimidazole;2-methyl-2H-imidazole;2-(1-methylimidazol-4-yl)ethanamine;1-methyl-4-phenylimidazole;1-methylpyrazole;1-methyltetrazole;5-methyl-2H-tetrazole;1-methyl-5-(trifluoromethyl)pyridin-2-one;1-methyl-5-(trifluoromethyl)tetrazole;1,2,4-trimethylimidazole;bis(1,3,5-trimethylpyrazole)
CID 158285886
benzyl N-(1-methylpyrrol-3-yl)carbamate;5-chloro-1-methylpyridin-2-one;1,2-dimethylimidazole;1,4-dimethylimidazole;2,5-dimethyl-1H-imidazole;N,N-dimethyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine;3,5-dimethyl-1,2,4-oxadiazole;1,4-dimethylpyridin-2-one;2-ethyl-1-methylimidazole;1-methylbenzimidazole;1-methylbenzotriazole;3-methylimidazo[4,5-b]pyridine;1-methylimidazole;2-methyl-1H-imidazole;2-(1-methylimidazol-4-yl)ethanamine;2-methyl-1H-pentazol-2-ium;1-methyl-4-phenylimidazole;1-methylpyrazole;1-methyltetrazole;1-methyl-5-(trifluoromethyl)pyridin-2-one;1-methyl-5-(trifluoromethyl)tetrazole;1,2,4-trimethylimidazole;1,3,5-trimethylpyrazole
CID 158923179
benzyl N-(1-methylpyrrol-3-yl)carbamate;5-chloro-1-methylpyridin-2-one;1,2-dimethylimidazole;1,4-dimethylimidazole;2,5-dimethyl-1H-imidazole;N,N-dimethyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine;3,5-dimethyl-1,2,4-oxadiazole;1,4-dimethylpyridin-2-one;2-ethyl-1-methylimidazole;1-methylbenzimidazole;1-methylbenzotriazole;3-methylimidazo[4,5-b]pyridine;1-methylimidazole;2-methyl-1H-imidazole;2-(1-methylimidazol-4-yl)ethanamine;1-methyl-4-phenylimidazole;1-methylpyrazole;1-methyltetrazole;5-methyl-2H-tetrazole;1-methyl-5-(trifluoromethyl)pyridin-2-one;1-methyl-5-(trifluoromethyl)tetrazole;1,2,4-trimethylimidazole;1,3,5-trimethylpyrazole
CID 159637715
benzyl N-(1-methylpyrrol-3-yl)carbamate;5-chloro-1-methylpyridin-2-one;1,2-dimethylimidazole;1,4-dimethylimidazole;2,5-dimethyl-1H-imidazole;N,N-dimethyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine;3,5-dimethyl-1,2,4-oxadiazole;1,4-dimethylpyridin-2-one;2-ethyl-1-methylimidazole;1-methylbenzimidazole;1-methylbenzotriazole;3-methylimidazo[4,5-b]pyridine;1-methylimidazole;2-methyl-1H-imidazole;2-(1-methylimidazol-4-yl)ethanamine;1-methyl-4-phenylimidazole;1-methylpyrazole;1-methyltetrazole;5-methyl-2H-tetrazole;1-methyl-2-(trifluoromethyl)pentazol-1-ium;1-methyl-5-(trifluoromethyl)pyridin-2-one;1,2,4-trimethylimidazole;1,3,5-trimethylpyrazole
CID 160644939
benzyl N-(1-methylpyrrol-3-yl)carbamate;5-chloro-1-methylpyridin-2-one;1,2-dimethylimidazole;1,4-dimethylimidazole;2,5-dimethyl-1H-imidazole;N,N-dimethyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine;3,5-dimethyl-1,2,4-oxadiazole;1,4-dimethylpyridin-2-one;2-ethyl-1-methylimidazole;1-methylbenzimidazole;1-methylbenzotriazole;3-methylimidazo[4,5-b]pyridine;1-methylimidazole;5-methyl-1H-imidazole;2-(1-methylimidazol-4-yl)ethanamine;1-methyl-4-phenylimidazole;1-methylpyrazole;1-methyltetrazole;5-methyl-2H-tetrazole;1-methyl-5-(trifluoromethyl)pyridin-2-one;1-methyl-5-(trifluoromethyl)tetrazole;1,2,4-trimethylimidazole;1,3,5-trimethylpyrazole
CID 160998991
benzyl N-(1-methylpyrrol-3-yl)carbamate;5-chloro-1-methylpyridin-2-one;1,2-dimethylimidazole;1,4-dimethylimidazole;2,5-dimethyl-1H-imidazole;N,N-dimethyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine;3,5-dimethyl-1,2,4-oxadiazole;1,4-dimethylpyridin-2-one;2-ethyl-1-methylimidazole;1-methylbenzimidazole;1-methylbenzotriazole;3-methylimidazo[4,5-b]pyridine;1-methylimidazole;2-methyl-2H-imidazole;2-(1-methylimidazol-4-yl)ethanamine;1-methyl-4-phenylimidazole;1-methylpyrazole;1-methyltetrazole;5-methyl-2H-tetrazole;1-methyl-5-(trifluoromethyl)pyridin-2-one;1-methyl-5-(trifluoromethyl)tetrazole;1,2,4-trimethylimidazole;1,3,5-trimethylpyrazole
CID 161542617
benzyl N-(1-methylpyrrol-3-yl)carbamate;5-chloro-1-methylpyridin-2-one;1,4-dimethylimidazole;2,5-dimethyl-1H-imidazole;3,4-dimethyl-4H-imidazol-3-ium;N,N-dimethyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine;3,5-dimethyl-1,2,4-oxadiazole;1,4-dimethylpyridin-2-one;2-ethyl-1-methylimidazole;1-methylbenzimidazole;1-methylbenzotriazole;3-methylimidazo[4,5-b]pyridine;1-methylimidazole;2-methyl-1H-imidazole;2-(1-methylimidazol-4-yl)ethanamine;1-methyl-4-phenylimidazole;1-methylpyrazole;1-methyltetrazole;5-methyl-2H-tetrazole;1-methyl-5-(trifluoromethyl)pyridin-2-one;1-methyl-5-(trifluoromethyl)tetrazole;1,2,4-trimethylimidazole;1,3,5-trimethylpyrazole
CID 161650790
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-(1-acetylpiperidin-4-yl)-2-(1H-benzimidazol-2-yl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-(6-methyl-3-pyridinyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(oxan-4-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(3-methylpyrazol-1-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one
CID 167542958
4-[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]-1-methylpyridin-2-one;benzyl 4-[[2-(1H-benzimidazol-2-yl)-3-oxo-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]piperidine-1-carboxylate;benzyl 4-[2-(4-chloro-1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]piperidine-1-carboxylate
CID 167543271

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-4-[2-(4-chloropyrazol-1-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(2-methylimidazol-1-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(triazol-2-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;benzyl 4-[2-(1H-benzimidazol-2-yl)-3-oxo-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]piperidine-1-carboxylate?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-4-[2-(4-chloropyrazol-1-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(2-methylimidazol-1-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(triazol-2-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;benzyl 4-[2-(1H-benzimidazol-2-yl)-3-oxo-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]piperidine-1-carboxylate (CID 167624682) is 2-(1H-benzimidazol-2-yl)-4-[2-(4-chloropyrazol-1-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(2-methylimidazol-1-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(triazol-2-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;benzyl 4-[2-(1H-benzimidazol-2-yl)-3-oxo-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]piperidine-1-carboxylate.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-4-[2-(4-chloropyrazol-1-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(2-methylimidazol-1-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(triazol-2-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;benzyl 4-[2-(1H-benzimidazol-2-yl)-3-oxo-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]piperidine-1-carboxylate?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-4-[2-(4-chloropyrazol-1-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(2-methylimidazol-1-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(triazol-2-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;benzyl 4-[2-(1H-benzimidazol-2-yl)-3-oxo-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]piperidine-1-carboxylate is Cc1nccn1CCc1c(-c2ccc(C(F)(F)F)cc2)[nH]n(-c2nc3ccccc3[nH]2)c1=O.O=C(OCc1ccccc1)N1CCC(c2c(-c3ccc(C(F)(F)F)cc3)[nH]n(-c3nc4ccccc4[nH]3)c2=O)CC1.O=c1c(CCn2cc(Cl)cn2)c(-c2ccc(C(F)(F)F)cc2)[nH]n1-c1nc2ccccc2[nH]1.O=c1c(CCn2nccn2)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-chloropyrazol-1-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(2-methylimidazol-1-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(triazol-2-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;benzyl 4-[2-(1H-benzimidazol-2-yl)-3-oxo-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]piperidine-1-carboxylate?
The InChIKey is PIYYXVYBBNAXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26F3N5O3.C23H19F3N6O.C22H16ClF3N6O.C21H16F3N7O/c31-30(32,33)22-12-10-21(11-13-22)26-25(27(39)38(36-26)28-34-23-8-4-5-9-24(23)35-28)20-14-16-37(17-15-20)29(40)41-18-19-6-2-1-3-7-19;1-14-27-11-13-31(14)12-10-17-20(15-6-8-16(9-7-15)23(24,25)26)30-32(21(17)33)22-28-18-4-2-3-5-19(18)29-22;23-15-11-27-31(12-15)10-9-16-19(13-5-7-14(8-6-13)22(24,25)26)30-32(20(16)33)21-28-17-3-1-2-4-18(17)29-21;22-21(23,24)14-7-5-13(6-8-14)18-15(9-12-30-25-10-11-26-30)19(32)31(29-18)20-27-16-3-1-2-4-17(16)28-20/h1-13,20,36H,14-18H2,(H,34,35);2-9,11,13,30H,10,12H2,1H3,(H,28,29);1-8,11-12,30H,9-10H2,(H,28,29);1-8,10-11,29H,9,12H2,(H,27,28).
What are the key properties of 2-(1H-benzimidazol-2-yl)-4-[2-(4-chloropyrazol-1-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(2-methylimidazol-1-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(triazol-2-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;benzyl 4-[2-(1H-benzimidazol-2-yl)-3-oxo-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]piperidine-1-carboxylate?
2-(1H-benzimidazol-2-yl)-4-[2-(4-chloropyrazol-1-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(2-methylimidazol-1-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(triazol-2-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;benzyl 4-[2-(1H-benzimidazol-2-yl)-3-oxo-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]piperidine-1-carboxylate has a molecular weight of 1926.26 g/mol, XLogP of 19.10, 20 rotatable bonds, 8 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)-4-[2-(4-chloropyrazol-1-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(2-methylimidazol-1-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(triazol-2-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;benzyl 4-[2-(1H-benzimidazol-2-yl)-3-oxo-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]piperidine-1-carboxylate is sourced from PubChem (CID 167624682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).