2-(1H-benzimidazol-2-yl)-5-[(4-methylphenyl)sulfanylmethyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-[(5-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-(phenylsulfanylmethyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-(pyridin-3-ylsulfanylmethyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-(pyrimidin-2-ylsulfanylmethyl)-1H-pyrazol-3-one;2-(1,3-benzothiazol-2-yl)-5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrazol-3-one;2-(1,3-benzothiazol-2-yl)-5-(pyridin-2-ylsulfanylmethyl)-1H-pyrazol-3-one;2-[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3-dihydropyrazol-2-yl]-1H-benzimidazole;5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-pyridin-2-yl-1H-pyrazol-3-one;2-(1H-imidazol-2-yl)-5-(phenylsulfanylmethyl)-1H-pyrazol-3-one;2-(5-methyl-2-pyridinyl)-5-(phenylsulfanylmethyl)-1H-pyrazol-3-one;5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-2-pyridin-2-yl-1H-pyrazol-3-one

C207H181N61O13S17 — CID 158351703

IUPAC2-(1H-benzimidazol-2-yl)-5-[(4-methylphenyl)sulfanylmethyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-[(5-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-(phenylsulfanylmethyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-(pyridin-3-ylsulfanylmethyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-(pyrimidin-2-ylsulfanylmethyl)-1H-pyrazol-3-one;2-(1,3-benzothiazol-2-yl)-5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrazol-3-one;2-(1,3-benzothiazol-2-yl)-5-(pyridin-2-ylsulfanylmethyl)-1H-pyrazol-3-one;2-[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3-dihydropyrazol-2-yl]-1H-benzimidazole;5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-pyridin-2-yl-1H-pyrazol-3-one;2-(1H-imidazol-2-yl)-5-(phenylsulfanylmethyl)-1H-pyrazol-3-one;2-(5-methyl-2-pyridinyl)-5-(phenylsulfanylmethyl)-1H-pyrazol-3-one;5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-2-pyridin-2-yl-1H-pyrazol-3-one
SMILESCc1cc(C)nc(SCC2=CCN(c3nc4ccccc4[nH]3)N2)n1.Cc1cc(C)nc(SCc2cc(=O)n(-c3ccccn3)[nH]2)n1.Cc1cc(C)nc(SCc2cc(=O)n(-c3nc4ccccc4s3)[nH]2)n1.Cc1ccc(-n2[nH]c(CSc3ccccc3)cc2=O)nc1.Cc1ccc(SCc2cc(=O)n(-c3nc4ccccc4[nH]3)[nH]2)cc1.Cc1cnc(SCc2cc(=O)n(-c3nc4ccccc4[nH]3)[nH]2)s1.Cc1csc(SCc2cc(=O)n(-c3ccccn3)[nH]2)n1.O=c1cc(CSc2ccccc2)[nH]n1-c1nc2ccccc2[nH]1.O=c1cc(CSc2ccccc2)[nH]n1-c1ncc[nH]1.O=c1cc(CSc2ccccn2)[nH]n1-c1nc2ccccc2s1.O=c1cc(CSc2cccnc2)[nH]n1-c1nc2ccccc2[nH]1.O=c1cc(CSc2ncccn2)[nH]n1-c1nc2ccccc2[nH]1.O=c1cc(CSc2nnc(-c3ccccc3)o2)[nH]n1-c1nc2ccccc2[nH]1
InChIInChI=1S/C19H14N6O2S.C18H16N4OS.C17H18N6S.C17H15N5OS2.C17H14N4OS.C16H13N5OS.C16H12N4OS2.C16H15N3OS.C15H12N6OS.C15H13N5OS2.C15H15N5OS.C13H12N4OS2.C13H12N4OS/c26-16-10-13(24-25(16)18-20-14-8-4-5-9-15(14)21-18)11-28-19-23-22-17(27-19)12-6-2-1-3-7-12;1-12-6-8-14(9-7-12)24-11-13-10-17(23)22(21-13)18-19-15-4-2-3-5-16(15)20-18;1-11-9-12(2)19-17(18-11)24-10-13-7-8-23(22-13)16-20-14-5-3-4-6-15(14)21-16;1-10-7-11(2)19-16(18-10)24-9-12-8-15(23)22(21-12)17-20-13-5-3-4-6-14(13)25-17;22-16-10-12(11-23-13-6-2-1-3-7-13)20-21(16)17-18-14-8-4-5-9-15(14)19-17;22-15-8-11(10-23-12-4-3-7-17-9-12)20-21(15)16-18-13-5-1-2-6-14(13)19-16;21-15-9-11(10-22-14-7-3-4-8-17-14)19-20(15)16-18-12-5-1-2-6-13(12)23-16;1-12-7-8-15(17-10-12)19-16(20)9-13(18-19)11-21-14-5-3-2-4-6-14;22-13-8-10(9-23-15-16-6-3-7-17-15)20-21(13)14-18-11-4-1-2-5-12(11)19-14;1-9-7-16-15(23-9)22-8-10-6-13(21)20(19-10)14-17-11-4-2-3-5-12(11)18-14;1-10-7-11(2)18-15(17-10)22-9-12-8-14(21)20(19-12)13-5-3-4-6-16-13;1-9-7-19-13(15-9)20-8-10-6-12(18)17(16-10)11-4-2-3-5-14-11;18-12-8-10(9-19-11-4-2-1-3-5-11)16-17(12)13-14-6-7-15-13/h1-10,24H,11H2,(H,20,21);2-10,21H,11H2,1H3,(H,19,20);3-7,9,22H,8,10H2,1-2H3,(H,20,21);3-8,21H,9H2,1-2H3;1-10,20H,11H2,(H,18,19);1-9,20H,10H2,(H,18,19);1-9,19H,10H2;2-10,18H,11H2,1H3;1-8,20H,9H2,(H,18,19);2-7,19H,8H2,1H3,(H,17,18);3-8,19H,9H2,1-2H3;2-7,16H,8H2,1H3;1-8,16H,9H2,(H,14,15)
InChIKeyGSJYRGSDECDNQB-UHFFFAOYSA-N
MW4276.28 g/mol
LogP38.44
Rot. Bonds53

About 2-(1H-benzimidazol-2-yl)-5-[(4-methylphenyl)sulfanylmethyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-[(5-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-(phenylsulfanylmethyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-(pyridin-3-ylsulfanylmethyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-(pyrimidin-2-ylsulfanylmethyl)-1H-pyrazol-3-one;2-(1,3-benzothiazol-2-yl)-5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrazol-3-one;2-(1,3-benzothiazol-2-yl)-5-(pyridin-2-ylsulfanylmethyl)-1H-pyrazol-3-one;2-[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3-dihydropyrazol-2-yl]-1H-benzimidazole;5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-pyridin-2-yl-1H-pyrazol-3-one;2-(1H-imidazol-2-yl)-5-(phenylsulfanylmethyl)-1H-pyrazol-3-one;2-(5-methyl-2-pyridinyl)-5-(phenylsulfanylmethyl)-1H-pyrazol-3-one;5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-2-pyridin-2-yl-1H-pyrazol-3-one

2-(1H-benzimidazol-2-yl)-5-[(4-methylphenyl)sulfanylmethyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-[(5-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-(phenylsulfanylmethyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-(pyridin-3-ylsulfanylmethyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-(pyrimidin-2-ylsulfanylmethyl)-1H-pyrazol-3-one;2-(1,3-benzothiazol-2-yl)-5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrazol-3-one;2-(1,3-benzothiazol-2-yl)-5-(pyridin-2-ylsulfanylmethyl)-1H-pyrazol-3-one;2-[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3-dihydropyrazol-2-yl]-1H-benzimidazole;5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-pyridin-2-yl-1H-pyrazol-3-one;2-(1H-imidazol-2-yl)-5-(phenylsulfanylmethyl)-1H-pyrazol-3-one;2-(5-methyl-2-pyridinyl)-5-(phenylsulfanylmethyl)-1H-pyrazol-3-one;5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-2-pyridin-2-yl-1H-pyrazol-3-one (PubChem CID 158351703) has the molecular formula C207H181N61O13S17 and a molecular weight of 4276.28 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-5-[(4-methylphenyl)sulfanylmethyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-[(5-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-(phenylsulfanylmethyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-(pyridin-3-ylsulfanylmethyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-(pyrimidin-2-ylsulfanylmethyl)-1H-pyrazol-3-one;2-(1,3-benzothiazol-2-yl)-5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrazol-3-one;2-(1,3-benzothiazol-2-yl)-5-(pyridin-2-ylsulfanylmethyl)-1H-pyrazol-3-one;2-[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3-dihydropyrazol-2-yl]-1H-benzimidazole;5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-pyridin-2-yl-1H-pyrazol-3-one;2-(1H-imidazol-2-yl)-5-(phenylsulfanylmethyl)-1H-pyrazol-3-one;2-(5-methyl-2-pyridinyl)-5-(phenylsulfanylmethyl)-1H-pyrazol-3-one;5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-2-pyridin-2-yl-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-5-[(4-methylphenyl)sulfanylmethyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-[(5-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-(phenylsulfanylmethyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-(pyridin-3-ylsulfanylmethyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-(pyrimidin-2-ylsulfanylmethyl)-1H-pyrazol-3-one;2-(1,3-benzothiazol-2-yl)-5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrazol-3-one;2-(1,3-benzothiazol-2-yl)-5-(pyridin-2-ylsulfanylmethyl)-1H-pyrazol-3-one;2-[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3-dihydropyrazol-2-yl]-1H-benzimidazole;5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-pyridin-2-yl-1H-pyrazol-3-one;2-(1H-imidazol-2-yl)-5-(phenylsulfanylmethyl)-1H-pyrazol-3-one;2-(5-methyl-2-pyridinyl)-5-(phenylsulfanylmethyl)-1H-pyrazol-3-one;5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-2-pyridin-2-yl-1H-pyrazol-3-one
PubChem CID158351703
Molecular FormulaC207H181N61O13S17
Molecular Weight4276.28 g/mol
Exact Mass4272.06
IUPAC Name2-(1H-benzimidazol-2-yl)-5-[(4-methylphenyl)sulfanylmethyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-[(5-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-(phenylsulfanylmethyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-(pyridin-3-ylsulfanylmethyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-(pyrimidin-2-ylsulfanylmethyl)-1H-pyrazol-3-one;2-(1,3-benzothiazol-2-yl)-5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrazol-3-one;2-(1,3-benzothiazol-2-yl)-5-(pyridin-2-ylsulfanylmethyl)-1H-pyrazol-3-one;2-[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3-dihydropyrazol-2-yl]-1H-benzimidazole;5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-pyridin-2-yl-1H-pyrazol-3-one;2-(1H-imidazol-2-yl)-5-(phenylsulfanylmethyl)-1H-pyrazol-3-one;2-(5-methyl-2-pyridinyl)-5-(phenylsulfanylmethyl)-1H-pyrazol-3-one;5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-2-pyridin-2-yl-1H-pyrazol-3-one
SMILESCc1cc(C)nc(SCC2=CCN(c3nc4ccccc4[nH]3)N2)n1.Cc1cc(C)nc(SCc2cc(=O)n(-c3ccccn3)[nH]2)n1.Cc1cc(C)nc(SCc2cc(=O)n(-c3nc4ccccc4s3)[nH]2)n1.Cc1ccc(-n2[nH]c(CSc3ccccc3)cc2=O)nc1.Cc1ccc(SCc2cc(=O)n(-c3nc4ccccc4[nH]3)[nH]2)cc1.Cc1cnc(SCc2cc(=O)n(-c3nc4ccccc4[nH]3)[nH]2)s1.Cc1csc(SCc2cc(=O)n(-c3ccccn3)[nH]2)n1.O=c1cc(CSc2ccccc2)[nH]n1-c1nc2ccccc2[nH]1.O=c1cc(CSc2ccccc2)[nH]n1-c1ncc[nH]1.O=c1cc(CSc2ccccn2)[nH]n1-c1nc2ccccc2s1.O=c1cc(CSc2cccnc2)[nH]n1-c1nc2ccccc2[nH]1.O=c1cc(CSc2ncccn2)[nH]n1-c1nc2ccccc2[nH]1.O=c1cc(CSc2nnc(-c3ccccc3)o2)[nH]n1-c1nc2ccccc2[nH]1
InChIInChI=1S/C19H14N6O2S.C18H16N4OS.C17H18N6S.C17H15N5OS2.C17H14N4OS.C16H13N5OS.C16H12N4OS2.C16H15N3OS.C15H12N6OS.C15H13N5OS2.C15H15N5OS.C13H12N4OS2.C13H12N4OS/c26-16-10-13(24-25(16)18-20-14-8-4-5-9-15(14)21-18)11-28-19-23-22-17(27-19)12-6-2-1-3-7-12;1-12-6-8-14(9-7-12)24-11-13-10-17(23)22(21-13)18-19-15-4-2-3-5-16(15)20-18;1-11-9-12(2)19-17(18-11)24-10-13-7-8-23(22-13)16-20-14-5-3-4-6-15(14)21-16;1-10-7-11(2)19-16(18-10)24-9-12-8-15(23)22(21-12)17-20-13-5-3-4-6-14(13)25-17;22-16-10-12(11-23-13-6-2-1-3-7-13)20-21(16)17-18-14-8-4-5-9-15(14)19-17;22-15-8-11(10-23-12-4-3-7-17-9-12)20-21(15)16-18-13-5-1-2-6-14(13)19-16;21-15-9-11(10-22-14-7-3-4-8-17-14)19-20(15)16-18-12-5-1-2-6-13(12)23-16;1-12-7-8-15(17-10-12)19-16(20)9-13(18-19)11-21-14-5-3-2-4-6-14;22-13-8-10(9-23-15-16-6-3-7-17-15)20-21(13)14-18-11-4-1-2-5-12(11)19-14;1-9-7-16-15(23-9)22-8-10-6-13(21)20(19-10)14-17-11-4-2-3-5-12(11)18-14;1-10-7-11(2)18-15(17-10)22-9-12-8-14(21)20(19-12)13-5-3-4-6-16-13;1-9-7-19-13(15-9)20-8-10-6-12(18)17(16-10)11-4-2-3-5-14-11;18-12-8-10(9-19-11-4-2-1-3-5-11)16-17(12)13-14-6-7-15-13/h1-10,24H,11H2,(H,20,21);2-10,21H,11H2,1H3,(H,19,20);3-7,9,22H,8,10H2,1-2H3,(H,20,21);3-8,21H,9H2,1-2H3;1-10,20H,11H2,(H,18,19);1-9,20H,10H2,(H,18,19);1-9,19H,10H2;2-10,18H,11H2,1H3;1-8,20H,9H2,(H,18,19);2-7,19H,8H2,1H3,(H,17,18);3-8,19H,9H2,1-2H3;2-7,16H,8H2,1H3;1-8,16H,9H2,(H,14,15)
InChIKeyGSJYRGSDECDNQB-UHFFFAOYSA-N
XLogP38.44
TPSA956.24 Ų
H-Bond Donors21
H-Bond Acceptors71
Rotatable Bonds53
Heavy Atoms298
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004276.28
LogP ≤ 538.44
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1071

Analyze 2-(1H-benzimidazol-2-yl)-5-[(4-methylphenyl)sulfanylmethyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-[(5-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-(phenylsulfanylmethyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-(pyridin-3-ylsulfanylmethyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-(pyrimidin-2-ylsulfanylmethyl)-1H-pyrazol-3-one;2-(1,3-benzothiazol-2-yl)-5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrazol-3-one;2-(1,3-benzothiazol-2-yl)-5-(pyridin-2-ylsulfanylmethyl)-1H-pyrazol-3-one;2-[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3-dihydropyrazol-2-yl]-1H-benzimidazole;5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-pyridin-2-yl-1H-pyrazol-3-one;2-(1H-imidazol-2-yl)-5-(phenylsulfanylmethyl)-1H-pyrazol-3-one;2-(5-methyl-2-pyridinyl)-5-(phenylsulfanylmethyl)-1H-pyrazol-3-one;5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-2-pyridin-2-yl-1H-pyrazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-5-[(4-methylphenyl)sulfanylmethyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-[(5-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-(phenylsulfanylmethyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-(pyridin-3-ylsulfanylmethyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-(pyrimidin-2-ylsulfanylmethyl)-1H-pyrazol-3-one;2-(1,3-benzothiazol-2-yl)-5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrazol-3-one;2-(1,3-benzothiazol-2-yl)-5-(pyridin-2-ylsulfanylmethyl)-1H-pyrazol-3-one;2-[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3-dihydropyrazol-2-yl]-1H-benzimidazole;5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-pyridin-2-yl-1H-pyrazol-3-one;2-(1H-imidazol-2-yl)-5-(phenylsulfanylmethyl)-1H-pyrazol-3-one;2-(5-methyl-2-pyridinyl)-5-(phenylsulfanylmethyl)-1H-pyrazol-3-one;5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-2-pyridin-2-yl-1H-pyrazol-3-one?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-5-[(4-methylphenyl)sulfanylmethyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-[(5-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-(phenylsulfanylmethyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-(pyridin-3-ylsulfanylmethyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-(pyrimidin-2-ylsulfanylmethyl)-1H-pyrazol-3-one;2-(1,3-benzothiazol-2-yl)-5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrazol-3-one;2-(1,3-benzothiazol-2-yl)-5-(pyridin-2-ylsulfanylmethyl)-1H-pyrazol-3-one;2-[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3-dihydropyrazol-2-yl]-1H-benzimidazole;5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-pyridin-2-yl-1H-pyrazol-3-one;2-(1H-imidazol-2-yl)-5-(phenylsulfanylmethyl)-1H-pyrazol-3-one;2-(5-methyl-2-pyridinyl)-5-(phenylsulfanylmethyl)-1H-pyrazol-3-one;5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-2-pyridin-2-yl-1H-pyrazol-3-one (CID 158351703) is 2-(1H-benzimidazol-2-yl)-5-[(4-methylphenyl)sulfanylmethyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-[(5-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-(phenylsulfanylmethyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-(pyridin-3-ylsulfanylmethyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-(pyrimidin-2-ylsulfanylmethyl)-1H-pyrazol-3-one;2-(1,3-benzothiazol-2-yl)-5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrazol-3-one;2-(1,3-benzothiazol-2-yl)-5-(pyridin-2-ylsulfanylmethyl)-1H-pyrazol-3-one;2-[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3-dihydropyrazol-2-yl]-1H-benzimidazole;5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-pyridin-2-yl-1H-pyrazol-3-one;2-(1H-imidazol-2-yl)-5-(phenylsulfanylmethyl)-1H-pyrazol-3-one;2-(5-methyl-2-pyridinyl)-5-(phenylsulfanylmethyl)-1H-pyrazol-3-one;5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-2-pyridin-2-yl-1H-pyrazol-3-one.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-5-[(4-methylphenyl)sulfanylmethyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-[(5-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-(phenylsulfanylmethyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-(pyridin-3-ylsulfanylmethyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-(pyrimidin-2-ylsulfanylmethyl)-1H-pyrazol-3-one;2-(1,3-benzothiazol-2-yl)-5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrazol-3-one;2-(1,3-benzothiazol-2-yl)-5-(pyridin-2-ylsulfanylmethyl)-1H-pyrazol-3-one;2-[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3-dihydropyrazol-2-yl]-1H-benzimidazole;5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-pyridin-2-yl-1H-pyrazol-3-one;2-(1H-imidazol-2-yl)-5-(phenylsulfanylmethyl)-1H-pyrazol-3-one;2-(5-methyl-2-pyridinyl)-5-(phenylsulfanylmethyl)-1H-pyrazol-3-one;5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-2-pyridin-2-yl-1H-pyrazol-3-one?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-5-[(4-methylphenyl)sulfanylmethyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-[(5-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-(phenylsulfanylmethyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-(pyridin-3-ylsulfanylmethyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-(pyrimidin-2-ylsulfanylmethyl)-1H-pyrazol-3-one;2-(1,3-benzothiazol-2-yl)-5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrazol-3-one;2-(1,3-benzothiazol-2-yl)-5-(pyridin-2-ylsulfanylmethyl)-1H-pyrazol-3-one;2-[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3-dihydropyrazol-2-yl]-1H-benzimidazole;5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-pyridin-2-yl-1H-pyrazol-3-one;2-(1H-imidazol-2-yl)-5-(phenylsulfanylmethyl)-1H-pyrazol-3-one;2-(5-methyl-2-pyridinyl)-5-(phenylsulfanylmethyl)-1H-pyrazol-3-one;5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-2-pyridin-2-yl-1H-pyrazol-3-one is Cc1cc(C)nc(SCC2=CCN(c3nc4ccccc4[nH]3)N2)n1.Cc1cc(C)nc(SCc2cc(=O)n(-c3ccccn3)[nH]2)n1.Cc1cc(C)nc(SCc2cc(=O)n(-c3nc4ccccc4s3)[nH]2)n1.Cc1ccc(-n2[nH]c(CSc3ccccc3)cc2=O)nc1.Cc1ccc(SCc2cc(=O)n(-c3nc4ccccc4[nH]3)[nH]2)cc1.Cc1cnc(SCc2cc(=O)n(-c3nc4ccccc4[nH]3)[nH]2)s1.Cc1csc(SCc2cc(=O)n(-c3ccccn3)[nH]2)n1.O=c1cc(CSc2ccccc2)[nH]n1-c1nc2ccccc2[nH]1.O=c1cc(CSc2ccccc2)[nH]n1-c1ncc[nH]1.O=c1cc(CSc2ccccn2)[nH]n1-c1nc2ccccc2s1.O=c1cc(CSc2cccnc2)[nH]n1-c1nc2ccccc2[nH]1.O=c1cc(CSc2ncccn2)[nH]n1-c1nc2ccccc2[nH]1.O=c1cc(CSc2nnc(-c3ccccc3)o2)[nH]n1-c1nc2ccccc2[nH]1.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-5-[(4-methylphenyl)sulfanylmethyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-[(5-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-(phenylsulfanylmethyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-(pyridin-3-ylsulfanylmethyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-(pyrimidin-2-ylsulfanylmethyl)-1H-pyrazol-3-one;2-(1,3-benzothiazol-2-yl)-5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrazol-3-one;2-(1,3-benzothiazol-2-yl)-5-(pyridin-2-ylsulfanylmethyl)-1H-pyrazol-3-one;2-[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3-dihydropyrazol-2-yl]-1H-benzimidazole;5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-pyridin-2-yl-1H-pyrazol-3-one;2-(1H-imidazol-2-yl)-5-(phenylsulfanylmethyl)-1H-pyrazol-3-one;2-(5-methyl-2-pyridinyl)-5-(phenylsulfanylmethyl)-1H-pyrazol-3-one;5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-2-pyridin-2-yl-1H-pyrazol-3-one?
The InChIKey is GSJYRGSDECDNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N6O2S.C18H16N4OS.C17H18N6S.C17H15N5OS2.C17H14N4OS.C16H13N5OS.C16H12N4OS2.C16H15N3OS.C15H12N6OS.C15H13N5OS2.C15H15N5OS.C13H12N4OS2.C13H12N4OS/c26-16-10-13(24-25(16)18-20-14-8-4-5-9-15(14)21-18)11-28-19-23-22-17(27-19)12-6-2-1-3-7-12;1-12-6-8-14(9-7-12)24-11-13-10-17(23)22(21-13)18-19-15-4-2-3-5-16(15)20-18;1-11-9-12(2)19-17(18-11)24-10-13-7-8-23(22-13)16-20-14-5-3-4-6-15(14)21-16;1-10-7-11(2)19-16(18-10)24-9-12-8-15(23)22(21-12)17-20-13-5-3-4-6-14(13)25-17;22-16-10-12(11-23-13-6-2-1-3-7-13)20-21(16)17-18-14-8-4-5-9-15(14)19-17;22-15-8-11(10-23-12-4-3-7-17-9-12)20-21(15)16-18-13-5-1-2-6-14(13)19-16;21-15-9-11(10-22-14-7-3-4-8-17-14)19-20(15)16-18-12-5-1-2-6-13(12)23-16;1-12-7-8-15(17-10-12)19-16(20)9-13(18-19)11-21-14-5-3-2-4-6-14;22-13-8-10(9-23-15-16-6-3-7-17-15)20-21(13)14-18-11-4-1-2-5-12(11)19-14;1-9-7-16-15(23-9)22-8-10-6-13(21)20(19-10)14-17-11-4-2-3-5-12(11)18-14;1-10-7-11(2)18-15(17-10)22-9-12-8-14(21)20(19-12)13-5-3-4-6-16-13;1-9-7-19-13(15-9)20-8-10-6-12(18)17(16-10)11-4-2-3-5-14-11;18-12-8-10(9-19-11-4-2-1-3-5-11)16-17(12)13-14-6-7-15-13/h1-10,24H,11H2,(H,20,21);2-10,21H,11H2,1H3,(H,19,20);3-7,9,22H,8,10H2,1-2H3,(H,20,21);3-8,21H,9H2,1-2H3;1-10,20H,11H2,(H,18,19);1-9,20H,10H2,(H,18,19);1-9,19H,10H2;2-10,18H,11H2,1H3;1-8,20H,9H2,(H,18,19);2-7,19H,8H2,1H3,(H,17,18);3-8,19H,9H2,1-2H3;2-7,16H,8H2,1H3;1-8,16H,9H2,(H,14,15).
What are the key properties of 2-(1H-benzimidazol-2-yl)-5-[(4-methylphenyl)sulfanylmethyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-[(5-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-(phenylsulfanylmethyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-(pyridin-3-ylsulfanylmethyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-(pyrimidin-2-ylsulfanylmethyl)-1H-pyrazol-3-one;2-(1,3-benzothiazol-2-yl)-5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrazol-3-one;2-(1,3-benzothiazol-2-yl)-5-(pyridin-2-ylsulfanylmethyl)-1H-pyrazol-3-one;2-[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3-dihydropyrazol-2-yl]-1H-benzimidazole;5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-pyridin-2-yl-1H-pyrazol-3-one;2-(1H-imidazol-2-yl)-5-(phenylsulfanylmethyl)-1H-pyrazol-3-one;2-(5-methyl-2-pyridinyl)-5-(phenylsulfanylmethyl)-1H-pyrazol-3-one;5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-2-pyridin-2-yl-1H-pyrazol-3-one?
2-(1H-benzimidazol-2-yl)-5-[(4-methylphenyl)sulfanylmethyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-[(5-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-(phenylsulfanylmethyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-(pyridin-3-ylsulfanylmethyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-(pyrimidin-2-ylsulfanylmethyl)-1H-pyrazol-3-one;2-(1,3-benzothiazol-2-yl)-5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrazol-3-one;2-(1,3-benzothiazol-2-yl)-5-(pyridin-2-ylsulfanylmethyl)-1H-pyrazol-3-one;2-[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3-dihydropyrazol-2-yl]-1H-benzimidazole;5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-pyridin-2-yl-1H-pyrazol-3-one;2-(1H-imidazol-2-yl)-5-(phenylsulfanylmethyl)-1H-pyrazol-3-one;2-(5-methyl-2-pyridinyl)-5-(phenylsulfanylmethyl)-1H-pyrazol-3-one;5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-2-pyridin-2-yl-1H-pyrazol-3-one has a molecular weight of 4276.28 g/mol, XLogP of 38.44, 53 rotatable bonds, 21 hydrogen bond donors, and 71 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)-5-[(4-methylphenyl)sulfanylmethyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-[(5-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-(phenylsulfanylmethyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-(pyridin-3-ylsulfanylmethyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-(pyrimidin-2-ylsulfanylmethyl)-1H-pyrazol-3-one;2-(1,3-benzothiazol-2-yl)-5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrazol-3-one;2-(1,3-benzothiazol-2-yl)-5-(pyridin-2-ylsulfanylmethyl)-1H-pyrazol-3-one;2-[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3-dihydropyrazol-2-yl]-1H-benzimidazole;5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-pyridin-2-yl-1H-pyrazol-3-one;2-(1H-imidazol-2-yl)-5-(phenylsulfanylmethyl)-1H-pyrazol-3-one;2-(5-methyl-2-pyridinyl)-5-(phenylsulfanylmethyl)-1H-pyrazol-3-one;5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-2-pyridin-2-yl-1H-pyrazol-3-one is sourced from PubChem (CID 158351703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).