2-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;[3-fluoro-4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-3-yl]phenyl]methanol;[2-(hydroxymethyl)-4-[5-(6-nitro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;[3-methoxy-4-[5-(6-nitro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;[3-methoxy-5-[5-(6-nitro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;[4-[5-(6-nitro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;6-nitro-2-(3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole

C142H109F10N37O18 — CID 158223740

IUPAC2-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;[3-fluoro-4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-3-yl]phenyl]methanol;[2-(hydroxymethyl)-4-[5-(6-nitro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;[3-methoxy-4-[5-(6-nitro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;[3-methoxy-5-[5-(6-nitro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;[4-[5-(6-nitro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;6-nitro-2-(3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole
SMILESCOc1cc(CO)cc(-c2cc(-c3nc4ccc([N+](=O)[O-])cc4[nH]3)[nH]n2)c1.COc1cc(CO)ccc1-c1cc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)[nH]n1.Cc1ccc(-c2cc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)[nH]n2)cc1.Cc1ccc(-c2cc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)[nH]n2)cc1C.O=[N+]([O-])c1ccc2nc(-c3cc(-c4ccc(CO)c(CO)c4)n[nH]3)[nH]c2c1.O=[N+]([O-])c1ccc2nc(-c3cc(-c4ccc(CO)cc4)n[nH]3)[nH]c2c1.O=[N+]([O-])c1ccc2nc(-c3cc(-c4ccccc4)n[nH]3)[nH]c2c1.OCc1ccc(-c2cc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)[nH]n2)c(F)c1
InChIInChI=1S/C19H15F3N4.C18H12F4N4O.C18H13F3N4.3C18H15N5O4.C17H13N5O3.C16H11N5O2/c1-10-3-4-12(7-11(10)2)15-9-17(26-25-15)18-23-14-6-5-13(19(20,21)22)8-16(14)24-18;19-12-5-9(8-27)1-3-11(12)14-7-16(26-25-14)17-23-13-4-2-10(18(20,21)22)6-15(13)24-17;1-10-2-4-11(5-3-10)14-9-16(25-24-14)17-22-13-7-6-12(18(19,20)21)8-15(13)23-17;1-27-17-6-10(9-24)2-4-12(17)14-8-16(22-21-14)18-19-13-5-3-11(23(25)26)7-15(13)20-18;1-27-13-5-10(9-24)4-11(6-13)15-8-17(22-21-15)18-19-14-3-2-12(23(25)26)7-16(14)20-18;24-8-11-2-1-10(5-12(11)9-25)15-7-17(22-21-15)18-19-14-4-3-13(23(26)27)6-16(14)20-18;23-9-10-1-3-11(4-2-10)14-8-16(21-20-14)17-18-13-6-5-12(22(24)25)7-15(13)19-17;22-21(23)11-6-7-12-14(8-11)18-16(17-12)15-9-13(19-20-15)10-4-2-1-3-5-10/h3-9H,1-2H3,(H,23,24)(H,25,26);1-7,27H,8H2,(H,23,24)(H,25,26);2-9H,1H3,(H,22,23)(H,24,25);2*2-8,24H,9H2,1H3,(H,19,20)(H,21,22);1-7,24-25H,8-9H2,(H,19,20)(H,21,22);1-8,23H,9H2,(H,18,19)(H,20,21);1-9H,(H,17,18)(H,19,20)
InChIKeyGDOARKJJYHGTSC-UHFFFAOYSA-N
MW2811.65 g/mol
LogP29.59
Rot. Bonds29

About 2-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;[3-fluoro-4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-3-yl]phenyl]methanol;[2-(hydroxymethyl)-4-[5-(6-nitro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;[3-methoxy-4-[5-(6-nitro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;[3-methoxy-5-[5-(6-nitro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;[4-[5-(6-nitro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;6-nitro-2-(3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole

2-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;[3-fluoro-4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-3-yl]phenyl]methanol;[2-(hydroxymethyl)-4-[5-(6-nitro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;[3-methoxy-4-[5-(6-nitro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;[3-methoxy-5-[5-(6-nitro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;[4-[5-(6-nitro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;6-nitro-2-(3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole (PubChem CID 158223740) has the molecular formula C142H109F10N37O18 and a molecular weight of 2811.65 g/mol. Its IUPAC name is 2-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;[3-fluoro-4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-3-yl]phenyl]methanol;[2-(hydroxymethyl)-4-[5-(6-nitro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;[3-methoxy-4-[5-(6-nitro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;[3-methoxy-5-[5-(6-nitro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;[4-[5-(6-nitro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;6-nitro-2-(3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole.

Molecular Properties

Compound Name2-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;[3-fluoro-4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-3-yl]phenyl]methanol;[2-(hydroxymethyl)-4-[5-(6-nitro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;[3-methoxy-4-[5-(6-nitro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;[3-methoxy-5-[5-(6-nitro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;[4-[5-(6-nitro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;6-nitro-2-(3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole
PubChem CID158223740
Molecular FormulaC142H109F10N37O18
Molecular Weight2811.65 g/mol
Exact Mass2809.86
IUPAC Name2-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;[3-fluoro-4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-3-yl]phenyl]methanol;[2-(hydroxymethyl)-4-[5-(6-nitro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;[3-methoxy-4-[5-(6-nitro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;[3-methoxy-5-[5-(6-nitro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;[4-[5-(6-nitro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;6-nitro-2-(3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole
SMILESCOc1cc(CO)cc(-c2cc(-c3nc4ccc([N+](=O)[O-])cc4[nH]3)[nH]n2)c1.COc1cc(CO)ccc1-c1cc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)[nH]n1.Cc1ccc(-c2cc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)[nH]n2)cc1.Cc1ccc(-c2cc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)[nH]n2)cc1C.O=[N+]([O-])c1ccc2nc(-c3cc(-c4ccc(CO)c(CO)c4)n[nH]3)[nH]c2c1.O=[N+]([O-])c1ccc2nc(-c3cc(-c4ccc(CO)cc4)n[nH]3)[nH]c2c1.O=[N+]([O-])c1ccc2nc(-c3cc(-c4ccccc4)n[nH]3)[nH]c2c1.OCc1ccc(-c2cc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)[nH]n2)c(F)c1
InChIInChI=1S/C19H15F3N4.C18H12F4N4O.C18H13F3N4.3C18H15N5O4.C17H13N5O3.C16H11N5O2/c1-10-3-4-12(7-11(10)2)15-9-17(26-25-15)18-23-14-6-5-13(19(20,21)22)8-16(14)24-18;19-12-5-9(8-27)1-3-11(12)14-7-16(26-25-14)17-23-13-4-2-10(18(20,21)22)6-15(13)24-17;1-10-2-4-11(5-3-10)14-9-16(25-24-14)17-22-13-7-6-12(18(19,20)21)8-15(13)23-17;1-27-17-6-10(9-24)2-4-12(17)14-8-16(22-21-14)18-19-13-5-3-11(23(25)26)7-15(13)20-18;1-27-13-5-10(9-24)4-11(6-13)15-8-17(22-21-15)18-19-14-3-2-12(23(25)26)7-16(14)20-18;24-8-11-2-1-10(5-12(11)9-25)15-7-17(22-21-15)18-19-14-4-3-13(23(26)27)6-16(14)20-18;23-9-10-1-3-11(4-2-10)14-8-16(21-20-14)17-18-13-6-5-12(22(24)25)7-15(13)19-17;22-21(23)11-6-7-12-14(8-11)18-16(17-12)15-9-13(19-20-15)10-4-2-1-3-5-10/h3-9H,1-2H3,(H,23,24)(H,25,26);1-7,27H,8H2,(H,23,24)(H,25,26);2-9H,1H3,(H,22,23)(H,24,25);2*2-8,24H,9H2,1H3,(H,19,20)(H,21,22);1-7,24-25H,8-9H2,(H,19,20)(H,21,22);1-8,23H,9H2,(H,18,19)(H,20,21);1-9H,(H,17,18)(H,19,20)
InChIKeyGDOARKJJYHGTSC-UHFFFAOYSA-N
XLogP29.59
TPSA814.42 Ų
H-Bond Donors22
H-Bond Acceptors34
Rotatable Bonds29
Heavy Atoms207
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002811.65
LogP ≤ 529.59
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;[3-fluoro-4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-3-yl]phenyl]methanol;[2-(hydroxymethyl)-4-[5-(6-nitro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;[3-methoxy-4-[5-(6-nitro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;[3-methoxy-5-[5-(6-nitro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;[4-[5-(6-nitro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;6-nitro-2-(3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole with MolForge

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

Launch Full Analysis

Related Compounds

[2-(hydroxymethyl)-3-methoxy-5-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-3-yl]phenyl]methanol
CID 136960158
3-[4-[3-(Aminomethyl)phenyl]phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;3-[4-(3,5-dimethylphenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;3-[4-(3-ethylphenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;3-[4-(3-methoxyphenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-methyl-3-[4-(3-methylphenyl)phenyl]-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)-3-[4-[3-(trifluoromethyl)phenyl]phenyl]pyrazol-4-ol
CID 160278981
3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-2-methylphenol;4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]phenol;3-(1H-benzimidazol-2-yl)-5-(3-methoxy-2-methylphenyl)-1H-indazole;3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-1H-indazole;5-(2-methylphenyl)-3-phenyl-1H-indazole;3-phenyl-5-[2-(trifluoromethyl)phenyl]-1H-indazole
CID 160668635
[2-(hydroxymethyl)-3-methoxy-5-[5-(6-nitro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol
CID 136960163
[3-methoxy-4-[5-(6-nitro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol
CID 136960166
[5-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol;[4-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)phenyl]methanol;[3-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-methoxyphenyl]methanol;[4-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-methoxyphenyl]methanol;[4-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;5-fluoro-6-methyl-2-(3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole
CID 158696379
2-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-5-chloro-6-fluoro-1H-benzimidazole;[5-[5-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol;[4-[5-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)phenyl]methanol;[3-[5-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-methoxyphenyl]methanol;[4-[5-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-methoxyphenyl]methanol;[4-[5-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;5-chloro-6-fluoro-2-(3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole;2-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-6-nitro-1H-benzimidazole
CID 158989313
[5-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol;[4-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)phenyl]methanol;[3-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-methoxyphenyl]methanol;[4-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-methoxyphenyl]methanol;[4-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;2-(3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole
CID 158997077
3-(1H-benzimidazol-2-yl)-5-(2-fluorophenyl)-1H-indazole;3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]phenol;3-(1H-benzimidazol-2-yl)-5-(3-methoxyphenyl)-1H-indazole;3-(1H-benzimidazol-2-yl)-5-phenyl-1H-indazole;3,5-bis[(E)-2-phenylethenyl]-2H-indazole;5-phenyl-3-[(E)-2-phenylethenyl]-1H-indazole
CID 159371117
[5-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol;[4-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)phenyl]methanol;[3-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-methoxyphenyl]methanol;[4-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-methoxyphenyl]methanol;[4-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;2-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1H-benzimidazole;2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;2-(3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole
CID 159934906
[2-(hydroxymethyl)-3-methoxy-5-[5-(6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;[2-(hydroxymethyl)-4-[5-(6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;[3-methoxy-4-[5-(6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;[3-methoxy-5-[5-(6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;[4-[5-(6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;6-methyl-2-(3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole
CID 159981061
[5-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol;[4-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)phenyl]methanol;[3-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-methoxyphenyl]methanol;[4-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-methoxyphenyl]methanol;[4-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;ethane;2-(3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole
CID 160015134

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;[3-fluoro-4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-3-yl]phenyl]methanol;[2-(hydroxymethyl)-4-[5-(6-nitro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;[3-methoxy-4-[5-(6-nitro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;[3-methoxy-5-[5-(6-nitro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;[4-[5-(6-nitro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;6-nitro-2-(3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole?
The IUPAC name of 2-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;[3-fluoro-4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-3-yl]phenyl]methanol;[2-(hydroxymethyl)-4-[5-(6-nitro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;[3-methoxy-4-[5-(6-nitro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;[3-methoxy-5-[5-(6-nitro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;[4-[5-(6-nitro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;6-nitro-2-(3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole (CID 158223740) is 2-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;[3-fluoro-4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-3-yl]phenyl]methanol;[2-(hydroxymethyl)-4-[5-(6-nitro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;[3-methoxy-4-[5-(6-nitro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;[3-methoxy-5-[5-(6-nitro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;[4-[5-(6-nitro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;6-nitro-2-(3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole.
What is the SMILES notation for 2-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;[3-fluoro-4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-3-yl]phenyl]methanol;[2-(hydroxymethyl)-4-[5-(6-nitro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;[3-methoxy-4-[5-(6-nitro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;[3-methoxy-5-[5-(6-nitro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;[4-[5-(6-nitro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;6-nitro-2-(3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole?
The canonical SMILES for 2-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;[3-fluoro-4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-3-yl]phenyl]methanol;[2-(hydroxymethyl)-4-[5-(6-nitro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;[3-methoxy-4-[5-(6-nitro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;[3-methoxy-5-[5-(6-nitro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;[4-[5-(6-nitro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;6-nitro-2-(3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole is COc1cc(CO)cc(-c2cc(-c3nc4ccc([N+](=O)[O-])cc4[nH]3)[nH]n2)c1.COc1cc(CO)ccc1-c1cc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)[nH]n1.Cc1ccc(-c2cc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)[nH]n2)cc1.Cc1ccc(-c2cc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)[nH]n2)cc1C.O=[N+]([O-])c1ccc2nc(-c3cc(-c4ccc(CO)c(CO)c4)n[nH]3)[nH]c2c1.O=[N+]([O-])c1ccc2nc(-c3cc(-c4ccc(CO)cc4)n[nH]3)[nH]c2c1.O=[N+]([O-])c1ccc2nc(-c3cc(-c4ccccc4)n[nH]3)[nH]c2c1.OCc1ccc(-c2cc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)[nH]n2)c(F)c1.
What is the InChIKey of 2-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;[3-fluoro-4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-3-yl]phenyl]methanol;[2-(hydroxymethyl)-4-[5-(6-nitro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;[3-methoxy-4-[5-(6-nitro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;[3-methoxy-5-[5-(6-nitro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;[4-[5-(6-nitro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;6-nitro-2-(3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole?
The InChIKey is GDOARKJJYHGTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4.C18H12F4N4O.C18H13F3N4.3C18H15N5O4.C17H13N5O3.C16H11N5O2/c1-10-3-4-12(7-11(10)2)15-9-17(26-25-15)18-23-14-6-5-13(19(20,21)22)8-16(14)24-18;19-12-5-9(8-27)1-3-11(12)14-7-16(26-25-14)17-23-13-4-2-10(18(20,21)22)6-15(13)24-17;1-10-2-4-11(5-3-10)14-9-16(25-24-14)17-22-13-7-6-12(18(19,20)21)8-15(13)23-17;1-27-17-6-10(9-24)2-4-12(17)14-8-16(22-21-14)18-19-13-5-3-11(23(25)26)7-15(13)20-18;1-27-13-5-10(9-24)4-11(6-13)15-8-17(22-21-15)18-19-14-3-2-12(23(25)26)7-16(14)20-18;24-8-11-2-1-10(5-12(11)9-25)15-7-17(22-21-15)18-19-14-4-3-13(23(26)27)6-16(14)20-18;23-9-10-1-3-11(4-2-10)14-8-16(21-20-14)17-18-13-6-5-12(22(24)25)7-15(13)19-17;22-21(23)11-6-7-12-14(8-11)18-16(17-12)15-9-13(19-20-15)10-4-2-1-3-5-10/h3-9H,1-2H3,(H,23,24)(H,25,26);1-7,27H,8H2,(H,23,24)(H,25,26);2-9H,1H3,(H,22,23)(H,24,25);2*2-8,24H,9H2,1H3,(H,19,20)(H,21,22);1-7,24-25H,8-9H2,(H,19,20)(H,21,22);1-8,23H,9H2,(H,18,19)(H,20,21);1-9H,(H,17,18)(H,19,20).
What are the key properties of 2-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;[3-fluoro-4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-3-yl]phenyl]methanol;[2-(hydroxymethyl)-4-[5-(6-nitro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;[3-methoxy-4-[5-(6-nitro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;[3-methoxy-5-[5-(6-nitro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;[4-[5-(6-nitro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;6-nitro-2-(3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole?
2-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;[3-fluoro-4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-3-yl]phenyl]methanol;[2-(hydroxymethyl)-4-[5-(6-nitro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;[3-methoxy-4-[5-(6-nitro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;[3-methoxy-5-[5-(6-nitro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;[4-[5-(6-nitro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;6-nitro-2-(3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole has a molecular weight of 2811.65 g/mol, XLogP of 29.59, 29 rotatable bonds, 22 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;[3-fluoro-4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-3-yl]phenyl]methanol;[2-(hydroxymethyl)-4-[5-(6-nitro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;[3-methoxy-4-[5-(6-nitro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;[3-methoxy-5-[5-(6-nitro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;[4-[5-(6-nitro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;6-nitro-2-(3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole is sourced from PubChem (CID 158223740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).