5-bromo-2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;5-bromo-2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;5-bromo-2-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;5-bromo-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;[4-[5-[5-bromo-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-3-yl]-3-fluorophenyl]methanol

C89H54Br5Cl3F16N20O — CID 161096281

IUPAC5-bromo-2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;5-bromo-2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;5-bromo-2-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;5-bromo-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;[4-[5-[5-bromo-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-3-yl]-3-fluorophenyl]methanol
SMILESCc1ccc(-c2cc(-c3nc4cc(Br)c(C(F)(F)F)cc4[nH]3)[nH]n2)cc1.Cc1ccc(-c2cc(-c3nc4cc(Br)c(C(F)(F)F)cc4[nH]3)[nH]n2)cc1C.FC(F)(F)c1cc2[nH]c(-c3cc(-c4ccc(Cl)c(Cl)c4)n[nH]3)nc2cc1Br.FC(F)(F)c1cc2[nH]c(-c3cc(-c4ccc(Cl)cc4)n[nH]3)nc2cc1Br.OCc1ccc(-c2cc(-c3nc4cc(Br)c(C(F)(F)F)cc4[nH]3)[nH]n2)c(F)c1
InChIInChI=1S/C19H14BrF3N4.C18H11BrF4N4O.C18H12BrF3N4.C17H8BrCl2F3N4.C17H9BrClF3N4/c1-9-3-4-11(5-10(9)2)14-8-17(27-26-14)18-24-15-6-12(19(21,22)23)13(20)7-16(15)25-18;19-11-5-15-14(4-10(11)18(21,22)23)24-17(25-15)16-6-13(26-27-16)9-2-1-8(7-28)3-12(9)20;1-9-2-4-10(5-3-9)13-8-16(26-25-13)17-23-14-6-11(18(20,21)22)12(19)7-15(14)24-17;18-9-5-14-13(4-8(9)17(21,22)23)24-16(25-14)15-6-12(26-27-15)7-1-2-10(19)11(20)3-7;18-11-6-14-13(5-10(11)17(20,21)22)23-16(24-14)15-7-12(25-26-15)8-1-3-9(19)4-2-8/h3-8H,1-2H3,(H,24,25)(H,26,27);1-6,28H,7H2,(H,24,25)(H,26,27);2-8H,1H3,(H,23,24)(H,25,26);1-6H,(H,24,25)(H,26,27);1-7H,(H,23,24)(H,25,26)
InChIKeyUHVJOJNUWPEGKH-UHFFFAOYSA-N
MW2229.40 g/mol
LogP29.52
Rot. Bonds11

About 5-bromo-2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;5-bromo-2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;5-bromo-2-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;5-bromo-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;[4-[5-[5-bromo-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-3-yl]-3-fluorophenyl]methanol

5-bromo-2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;5-bromo-2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;5-bromo-2-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;5-bromo-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;[4-[5-[5-bromo-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-3-yl]-3-fluorophenyl]methanol (PubChem CID 161096281) has the molecular formula C89H54Br5Cl3F16N20O and a molecular weight of 2229.40 g/mol. Its IUPAC name is 5-bromo-2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;5-bromo-2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;5-bromo-2-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;5-bromo-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;[4-[5-[5-bromo-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-3-yl]-3-fluorophenyl]methanol.

Molecular Properties

Compound Name5-bromo-2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;5-bromo-2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;5-bromo-2-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;5-bromo-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;[4-[5-[5-bromo-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-3-yl]-3-fluorophenyl]methanol
PubChem CID161096281
Molecular FormulaC89H54Br5Cl3F16N20O
Molecular Weight2229.40 g/mol
Exact Mass2221.95
IUPAC Name5-bromo-2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;5-bromo-2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;5-bromo-2-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;5-bromo-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;[4-[5-[5-bromo-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-3-yl]-3-fluorophenyl]methanol
SMILESCc1ccc(-c2cc(-c3nc4cc(Br)c(C(F)(F)F)cc4[nH]3)[nH]n2)cc1.Cc1ccc(-c2cc(-c3nc4cc(Br)c(C(F)(F)F)cc4[nH]3)[nH]n2)cc1C.FC(F)(F)c1cc2[nH]c(-c3cc(-c4ccc(Cl)c(Cl)c4)n[nH]3)nc2cc1Br.FC(F)(F)c1cc2[nH]c(-c3cc(-c4ccc(Cl)cc4)n[nH]3)nc2cc1Br.OCc1ccc(-c2cc(-c3nc4cc(Br)c(C(F)(F)F)cc4[nH]3)[nH]n2)c(F)c1
InChIInChI=1S/C19H14BrF3N4.C18H11BrF4N4O.C18H12BrF3N4.C17H8BrCl2F3N4.C17H9BrClF3N4/c1-9-3-4-11(5-10(9)2)14-8-17(27-26-14)18-24-15-6-12(19(21,22)23)13(20)7-16(15)25-18;19-11-5-15-14(4-10(11)18(21,22)23)24-17(25-15)16-6-13(26-27-16)9-2-1-8(7-28)3-12(9)20;1-9-2-4-10(5-3-9)13-8-16(26-25-13)17-23-14-6-11(18(20,21)22)12(19)7-15(14)24-17;18-9-5-14-13(4-8(9)17(21,22)23)24-16(25-14)15-6-12(26-27-15)7-1-2-10(19)11(20)3-7;18-11-6-14-13(5-10(11)17(20,21)22)23-16(24-14)15-7-12(25-26-15)8-1-3-9(19)4-2-8/h3-8H,1-2H3,(H,24,25)(H,26,27);1-6,28H,7H2,(H,24,25)(H,26,27);2-8H,1H3,(H,23,24)(H,25,26);1-6H,(H,24,25)(H,26,27);1-7H,(H,23,24)(H,25,26)
InChIKeyUHVJOJNUWPEGKH-UHFFFAOYSA-N
XLogP29.52
TPSA307.03 Ų
H-Bond Donors11
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms134
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002229.40
LogP ≤ 529.52
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1011

Analyze 5-bromo-2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;5-bromo-2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;5-bromo-2-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;5-bromo-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;[4-[5-[5-bromo-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-3-yl]-3-fluorophenyl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;5-bromo-2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;5-bromo-2-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;5-bromo-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;[4-[5-[5-bromo-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-3-yl]-3-fluorophenyl]methanol?
The IUPAC name of 5-bromo-2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;5-bromo-2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;5-bromo-2-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;5-bromo-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;[4-[5-[5-bromo-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-3-yl]-3-fluorophenyl]methanol (CID 161096281) is 5-bromo-2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;5-bromo-2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;5-bromo-2-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;5-bromo-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;[4-[5-[5-bromo-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-3-yl]-3-fluorophenyl]methanol.
What is the SMILES notation for 5-bromo-2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;5-bromo-2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;5-bromo-2-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;5-bromo-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;[4-[5-[5-bromo-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-3-yl]-3-fluorophenyl]methanol?
The canonical SMILES for 5-bromo-2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;5-bromo-2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;5-bromo-2-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;5-bromo-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;[4-[5-[5-bromo-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-3-yl]-3-fluorophenyl]methanol is Cc1ccc(-c2cc(-c3nc4cc(Br)c(C(F)(F)F)cc4[nH]3)[nH]n2)cc1.Cc1ccc(-c2cc(-c3nc4cc(Br)c(C(F)(F)F)cc4[nH]3)[nH]n2)cc1C.FC(F)(F)c1cc2[nH]c(-c3cc(-c4ccc(Cl)c(Cl)c4)n[nH]3)nc2cc1Br.FC(F)(F)c1cc2[nH]c(-c3cc(-c4ccc(Cl)cc4)n[nH]3)nc2cc1Br.OCc1ccc(-c2cc(-c3nc4cc(Br)c(C(F)(F)F)cc4[nH]3)[nH]n2)c(F)c1.
What is the InChIKey of 5-bromo-2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;5-bromo-2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;5-bromo-2-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;5-bromo-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;[4-[5-[5-bromo-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-3-yl]-3-fluorophenyl]methanol?
The InChIKey is UHVJOJNUWPEGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrF3N4.C18H11BrF4N4O.C18H12BrF3N4.C17H8BrCl2F3N4.C17H9BrClF3N4/c1-9-3-4-11(5-10(9)2)14-8-17(27-26-14)18-24-15-6-12(19(21,22)23)13(20)7-16(15)25-18;19-11-5-15-14(4-10(11)18(21,22)23)24-17(25-15)16-6-13(26-27-16)9-2-1-8(7-28)3-12(9)20;1-9-2-4-10(5-3-9)13-8-16(26-25-13)17-23-14-6-11(18(20,21)22)12(19)7-15(14)24-17;18-9-5-14-13(4-8(9)17(21,22)23)24-16(25-14)15-6-12(26-27-15)7-1-2-10(19)11(20)3-7;18-11-6-14-13(5-10(11)17(20,21)22)23-16(24-14)15-7-12(25-26-15)8-1-3-9(19)4-2-8/h3-8H,1-2H3,(H,24,25)(H,26,27);1-6,28H,7H2,(H,24,25)(H,26,27);2-8H,1H3,(H,23,24)(H,25,26);1-6H,(H,24,25)(H,26,27);1-7H,(H,23,24)(H,25,26).
What are the key properties of 5-bromo-2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;5-bromo-2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;5-bromo-2-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;5-bromo-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;[4-[5-[5-bromo-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-3-yl]-3-fluorophenyl]methanol?
5-bromo-2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;5-bromo-2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;5-bromo-2-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;5-bromo-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;[4-[5-[5-bromo-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-3-yl]-3-fluorophenyl]methanol has a molecular weight of 2229.40 g/mol, XLogP of 29.52, 11 rotatable bonds, 11 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;5-bromo-2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;5-bromo-2-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;5-bromo-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;[4-[5-[5-bromo-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-3-yl]-3-fluorophenyl]methanol is sourced from PubChem (CID 161096281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).