2-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole;2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole;2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole;2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole;[3-fluoro-4-[5-(6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole;6-methyl-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole

C122H95Cl3F4N28O3 — CID 158080451

About 2-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole;2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole;2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole;2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole;[3-fluoro-4-[5-(6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole;6-methyl-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole

2-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole;2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole;2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole;2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole;[3-fluoro-4-[5-(6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole;6-methyl-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole (PubChem CID 158080451) has the molecular formula C122H95Cl3F4N28O3 and a molecular weight of 2183.65 g/mol. Its IUPAC name is 2-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole;2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole;2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole;2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole;[3-fluoro-4-[5-(6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole;6-methyl-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole.

Molecular Properties

• Compound Name: 2-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole;2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole;2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole;2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole;[3-fluoro-4-[5-(6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole;6-methyl-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole
• PubChem CID: 158080451
• Molecular Formula: C122H95Cl3F4N28O3
• Molecular Weight: 2183.65 g/mol
• Exact Mass: 2180.71
• IUPAC Name: 2-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole;2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole;2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole;2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole;[3-fluoro-4-[5-(6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole;6-methyl-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole
• SMILES: Cc1ccc(-c2cc(-c3nc4ccc(C)cc4[nH]3)[nH]n2)cc1.Cc1ccc2nc(-c3cc(-c4ccc(CO)cc4F)n[nH]3)[nH]c2c1.Cc1ccc2nc(-c3cc(-c4ccc(Cl)c(Cl)c4)n[nH]3)[nH]c2c1.Cc1ccc2nc(-c3cc(-c4ccc(Cl)cc4)n[nH]3)[nH]c2c1.Cc1ccc2nc(-c3cc(-c4ccc(F)c(F)c4)n[nH]3)[nH]c2c1.Cc1ccc2nc(-c3cc(-c4ccc(F)cc4)n[nH]3)[nH]c2c1.Cc1ccc2nc(-c3cc(-c4ccc5c(c4)OCO5)n[nH]3)[nH]c2c1
• InChI: InChI=1S/C18H15FN4O.C18H14N4O2.C18H16N4.C17H12Cl2N4.C17H13ClN4.C17H12F2N4.C17H13FN4/c1-10-2-5-14-16(6-10)21-18(20-14)17-8-15(22-23-17)12-4-3-11(9-24)7-13(12)19;1-10-2-4-12-14(6-10)20-18(19-12)15-8-13(21-22-15)11-3-5-16-17(7-11)24-9-23-16;1-11-3-6-13(7-4-11)15-10-17(22-21-15)18-19-14-8-5-12(2)9-16(14)20-18;1-9-2-5-13-15(6-9)21-17(20-13)16-8-14(22-23-16)10-3-4-11(18)12(19)7-10;1-10-2-7-13-15(8-10)20-17(19-13)16-9-14(21-22-16)11-3-5-12(18)6-4-11;1-9-2-5-13-15(6-9)21-17(20-13)16-8-14(22-23-16)10-3-4-11(18)12(19)7-10;1-10-2-7-13-15(8-10)20-17(19-13)16-9-14(21-22-16)11-3-5-12(18)6-4-11/h2-8,24H,9H2,1H3,(H,20,21)(H,22,23);2-8H,9H2,1H3,(H,19,20)(H,21,22);3-10H,1-2H3,(H,19,20)(H,21,22);2-8H,1H3,(H,20,21)(H,22,23);2-9H,1H3,(H,19,20)(H,21,22);2-8H,1H3,(H,20,21)(H,22,23);2-9H,1H3,(H,19,20)(H,21,22)
• InChIKey: FMWUALZMNLWOBA-UHFFFAOYSA-N
• XLogP: 29.54
• TPSA: 440.21 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 17
• Rotatable Bonds: 15
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2183.65
LogP ≤ 5	29.54
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole;2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole;2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole;2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole;[3-fluoro-4-[5-(6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole;6-methyl-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole?

The IUPAC name of 2-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole;2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole;2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole;2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole;[3-fluoro-4-[5-(6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole;6-methyl-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole (CID 158080451) is 2-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole;2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole;2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole;2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole;[3-fluoro-4-[5-(6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole;6-methyl-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole.

What is the SMILES notation for 2-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole;2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole;2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole;2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole;[3-fluoro-4-[5-(6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole;6-methyl-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole?

The canonical SMILES for 2-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole;2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole;2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole;2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole;[3-fluoro-4-[5-(6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole;6-methyl-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole is Cc1ccc(-c2cc(-c3nc4ccc(C)cc4[nH]3)[nH]n2)cc1.Cc1ccc2nc(-c3cc(-c4ccc(CO)cc4F)n[nH]3)[nH]c2c1.Cc1ccc2nc(-c3cc(-c4ccc(Cl)c(Cl)c4)n[nH]3)[nH]c2c1.Cc1ccc2nc(-c3cc(-c4ccc(Cl)cc4)n[nH]3)[nH]c2c1.Cc1ccc2nc(-c3cc(-c4ccc(F)c(F)c4)n[nH]3)[nH]c2c1.Cc1ccc2nc(-c3cc(-c4ccc(F)cc4)n[nH]3)[nH]c2c1.Cc1ccc2nc(-c3cc(-c4ccc5c(c4)OCO5)n[nH]3)[nH]c2c1.

What is the InChIKey of 2-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole;2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole;2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole;2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole;[3-fluoro-4-[5-(6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole;6-methyl-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole?

The InChIKey is FMWUALZMNLWOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O.C18H14N4O2.C18H16N4.C17H12Cl2N4.C17H13ClN4.C17H12F2N4.C17H13FN4/c1-10-2-5-14-16(6-10)21-18(20-14)17-8-15(22-23-17)12-4-3-11(9-24)7-13(12)19;1-10-2-4-12-14(6-10)20-18(19-12)15-8-13(21-22-15)11-3-5-16-17(7-11)24-9-23-16;1-11-3-6-13(7-4-11)15-10-17(22-21-15)18-19-14-8-5-12(2)9-16(14)20-18;1-9-2-5-13-15(6-9)21-17(20-13)16-8-14(22-23-16)10-3-4-11(18)12(19)7-10;1-10-2-7-13-15(8-10)20-17(19-13)16-9-14(21-22-16)11-3-5-12(18)6-4-11;1-9-2-5-13-15(6-9)21-17(20-13)16-8-14(22-23-16)10-3-4-11(18)12(19)7-10;1-10-2-7-13-15(8-10)20-17(19-13)16-9-14(21-22-16)11-3-5-12(18)6-4-11/h2-8,24H,9H2,1H3,(H,20,21)(H,22,23);2-8H,9H2,1H3,(H,19,20)(H,21,22);3-10H,1-2H3,(H,19,20)(H,21,22);2-8H,1H3,(H,20,21)(H,22,23);2-9H,1H3,(H,19,20)(H,21,22);2-8H,1H3,(H,20,21)(H,22,23);2-9H,1H3,(H,19,20)(H,21,22).

What are the key properties of 2-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole;2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole;2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole;2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole;[3-fluoro-4-[5-(6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole;6-methyl-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole?

2-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole;2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole;2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole;2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole;[3-fluoro-4-[5-(6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole;6-methyl-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole has a molecular weight of 2183.65 g/mol, XLogP of 29.54, 15 rotatable bonds, 15 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole;2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole;2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole;2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole;[3-fluoro-4-[5-(6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole;6-methyl-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole is sourced from PubChem (CID 158080451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).