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

C133H97Cl3F4N32O3 — CID 158215885

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

[4-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-fluorophenyl]methanol;2-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1H-benzimidazole;2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;2-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole (PubChem CID 158215885) has the molecular formula C133H97Cl3F4N32O3 and a molecular weight of 2373.81 g/mol. Its IUPAC name is [4-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-fluorophenyl]methanol;2-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1H-benzimidazole;2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;2-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole.

Molecular Properties

• Compound Name: [4-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-fluorophenyl]methanol;2-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1H-benzimidazole;2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;2-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole
• PubChem CID: 158215885
• Molecular Formula: C133H97Cl3F4N32O3
• Molecular Weight: 2373.81 g/mol
• Exact Mass: 2370.74
• IUPAC Name: [4-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-fluorophenyl]methanol;2-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1H-benzimidazole;2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;2-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole
• SMILES: Cc1ccc(-c2cc(-c3nc4ccccc4[nH]3)[nH]n2)cc1.Cc1ccc(-c2cc(-c3nc4ccccc4[nH]3)[nH]n2)cc1C.Clc1ccc(-c2cc(-c3nc4ccccc4[nH]3)[nH]n2)cc1.Clc1ccc(-c2cc(-c3nc4ccccc4[nH]3)[nH]n2)cc1Cl.Fc1ccc(-c2cc(-c3nc4ccccc4[nH]3)[nH]n2)cc1.Fc1ccc(-c2cc(-c3nc4ccccc4[nH]3)[nH]n2)cc1F.OCc1ccc(-c2cc(-c3nc4ccccc4[nH]3)[nH]n2)c(F)c1.c1ccc2[nH]c(-c3cc(-c4ccc5c(c4)OCO5)n[nH]3)nc2c1
• InChI: InChI=1S/C18H16N4.C17H13FN4O.C17H12N4O2.C17H14N4.C16H10Cl2N4.C16H11ClN4.C16H10F2N4.C16H11FN4/c1-11-7-8-13(9-12(11)2)16-10-17(22-21-16)18-19-14-5-3-4-6-15(14)20-18;18-12-7-10(9-23)5-6-11(12)15-8-16(22-21-15)17-19-13-3-1-2-4-14(13)20-17;1-2-4-12-11(3-1)18-17(19-12)14-8-13(20-21-14)10-5-6-15-16(7-10)23-9-22-15;1-11-6-8-12(9-7-11)15-10-16(21-20-15)17-18-13-4-2-3-5-14(13)19-17;17-10-6-5-9(7-11(10)18)14-8-15(22-21-14)16-19-12-3-1-2-4-13(12)20-16;17-11-7-5-10(6-8-11)14-9-15(21-20-14)16-18-12-3-1-2-4-13(12)19-16;17-10-6-5-9(7-11(10)18)14-8-15(22-21-14)16-19-12-3-1-2-4-13(12)20-16;17-11-7-5-10(6-8-11)14-9-15(21-20-14)16-18-12-3-1-2-4-13(12)19-16/h3-10H,1-2H3,(H,19,20)(H,21,22);1-8,23H,9H2,(H,19,20)(H,21,22);1-8H,9H2,(H,18,19)(H,20,21);2-10H,1H3,(H,18,19)(H,20,21);1-8H,(H,19,20)(H,21,22);1-9H,(H,18,19)(H,20,21);1-8H,(H,19,20)(H,21,22);1-9H,(H,18,19)(H,20,21)
• InChIKey: GCQFBVFIHJXMEE-UHFFFAOYSA-N
• XLogP: 31.62
• TPSA: 497.57 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 19
• Rotatable Bonds: 17
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2373.81
LogP ≤ 5	31.62
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

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

The IUPAC name of [4-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-fluorophenyl]methanol;2-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1H-benzimidazole;2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;2-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole (CID 158215885) is [4-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-fluorophenyl]methanol;2-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1H-benzimidazole;2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;2-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole.

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

The canonical SMILES for [4-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-fluorophenyl]methanol;2-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1H-benzimidazole;2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;2-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole is Cc1ccc(-c2cc(-c3nc4ccccc4[nH]3)[nH]n2)cc1.Cc1ccc(-c2cc(-c3nc4ccccc4[nH]3)[nH]n2)cc1C.Clc1ccc(-c2cc(-c3nc4ccccc4[nH]3)[nH]n2)cc1.Clc1ccc(-c2cc(-c3nc4ccccc4[nH]3)[nH]n2)cc1Cl.Fc1ccc(-c2cc(-c3nc4ccccc4[nH]3)[nH]n2)cc1.Fc1ccc(-c2cc(-c3nc4ccccc4[nH]3)[nH]n2)cc1F.OCc1ccc(-c2cc(-c3nc4ccccc4[nH]3)[nH]n2)c(F)c1.c1ccc2[nH]c(-c3cc(-c4ccc5c(c4)OCO5)n[nH]3)nc2c1.

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

The InChIKey is GCQFBVFIHJXMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4.C17H13FN4O.C17H12N4O2.C17H14N4.C16H10Cl2N4.C16H11ClN4.C16H10F2N4.C16H11FN4/c1-11-7-8-13(9-12(11)2)16-10-17(22-21-16)18-19-14-5-3-4-6-15(14)20-18;18-12-7-10(9-23)5-6-11(12)15-8-16(22-21-15)17-19-13-3-1-2-4-14(13)20-17;1-2-4-12-11(3-1)18-17(19-12)14-8-13(20-21-14)10-5-6-15-16(7-10)23-9-22-15;1-11-6-8-12(9-7-11)15-10-16(21-20-15)17-18-13-4-2-3-5-14(13)19-17;17-10-6-5-9(7-11(10)18)14-8-15(22-21-14)16-19-12-3-1-2-4-13(12)20-16;17-11-7-5-10(6-8-11)14-9-15(21-20-14)16-18-12-3-1-2-4-13(12)19-16;17-10-6-5-9(7-11(10)18)14-8-15(22-21-14)16-19-12-3-1-2-4-13(12)20-16;17-11-7-5-10(6-8-11)14-9-15(21-20-14)16-18-12-3-1-2-4-13(12)19-16/h3-10H,1-2H3,(H,19,20)(H,21,22);1-8,23H,9H2,(H,19,20)(H,21,22);1-8H,9H2,(H,18,19)(H,20,21);2-10H,1H3,(H,18,19)(H,20,21);1-8H,(H,19,20)(H,21,22);1-9H,(H,18,19)(H,20,21);1-8H,(H,19,20)(H,21,22);1-9H,(H,18,19)(H,20,21).

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

[4-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-fluorophenyl]methanol;2-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1H-benzimidazole;2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;2-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole has a molecular weight of 2373.81 g/mol, XLogP of 31.62, 17 rotatable bonds, 17 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-fluorophenyl]methanol;2-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1H-benzimidazole;2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;2-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole is sourced from PubChem (CID 158215885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).