4-[2-cyclopropyl-7-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-indol-1-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-naphthalen-1-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2-phenyl-3-pyridinyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole

C98H83FN16O4 — CID 158286312

About 4-[2-cyclopropyl-7-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-indol-1-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-naphthalen-1-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2-phenyl-3-pyridinyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole

4-[2-cyclopropyl-7-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-indol-1-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-naphthalen-1-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2-phenyl-3-pyridinyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 158286312) has the molecular formula C98H83FN16O4 and a molecular weight of 1567.85 g/mol. Its IUPAC name is 4-[2-cyclopropyl-7-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-indol-1-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-naphthalen-1-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2-phenyl-3-pyridinyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

• Compound Name: 4-[2-cyclopropyl-7-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-indol-1-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-naphthalen-1-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2-phenyl-3-pyridinyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
• PubChem CID: 158286312
• Molecular Formula: C98H83FN16O4
• Molecular Weight: 1567.85 g/mol
• Exact Mass: 1566.68
• IUPAC Name: 4-[2-cyclopropyl-7-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-indol-1-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-naphthalen-1-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2-phenyl-3-pyridinyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
• SMILES: Cc1noc(C)c1-c1cc(-c2cccc3ccccc23)c2nc(C3CC3)[nH]c2c1.Cc1noc(C)c1-c1cc(-c2cccnc2-c2ccccc2)c2nc(C3CC3)[nH]c2c1.Cc1noc(C)c1-c1cc(-c2cn[nH]c2-c2ccc(F)cc2)c2nc(C3CC3)[nH]c2c1.Cc1noc(C)c1-c1cc(-n2ccc3ccccc32)c2nc(C3CC3)[nH]c2c1
• InChI: InChI=1S/C26H22N4O.C25H21N3O.C24H20FN5O.C23H20N4O/c1-15-23(16(2)31-30-15)19-13-21(25-22(14-19)28-26(29-25)18-10-11-18)20-9-6-12-27-24(20)17-7-4-3-5-8-17;1-14-23(15(2)29-28-14)18-12-21(20-9-5-7-16-6-3-4-8-19(16)20)24-22(13-18)26-25(27-24)17-10-11-17;1-12-21(13(2)31-30-12)16-9-18(23-20(10-16)27-24(28-23)15-3-4-15)19-11-26-29-22(19)14-5-7-17(25)8-6-14;1-13-21(14(2)28-26-13)17-11-18-22(25-23(24-18)16-7-8-16)20(12-17)27-10-9-15-5-3-4-6-19(15)27/h3-9,12-14,18H,10-11H2,1-2H3,(H,28,29);3-9,12-13,17H,10-11H2,1-2H3,(H,26,27);5-11,15H,3-4H2,1-2H3,(H,26,29)(H,27,28);3-6,9-12,16H,7-8H2,1-2H3,(H,24,25)
• InChIKey: GKUZUYCQDNJANU-UHFFFAOYSA-N
• XLogP: 24.54
• TPSA: 265.34 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 14
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1567.85
LogP ≤ 5	24.54
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 4-[2-cyclopropyl-7-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-indol-1-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-naphthalen-1-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2-phenyl-3-pyridinyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?

The IUPAC name of 4-[2-cyclopropyl-7-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-indol-1-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-naphthalen-1-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2-phenyl-3-pyridinyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole (CID 158286312) is 4-[2-cyclopropyl-7-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-indol-1-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-naphthalen-1-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2-phenyl-3-pyridinyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole.

What is the SMILES notation for 4-[2-cyclopropyl-7-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-indol-1-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-naphthalen-1-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2-phenyl-3-pyridinyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?

The canonical SMILES for 4-[2-cyclopropyl-7-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-indol-1-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-naphthalen-1-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2-phenyl-3-pyridinyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1-c1cc(-c2cccc3ccccc23)c2nc(C3CC3)[nH]c2c1.Cc1noc(C)c1-c1cc(-c2cccnc2-c2ccccc2)c2nc(C3CC3)[nH]c2c1.Cc1noc(C)c1-c1cc(-c2cn[nH]c2-c2ccc(F)cc2)c2nc(C3CC3)[nH]c2c1.Cc1noc(C)c1-c1cc(-n2ccc3ccccc32)c2nc(C3CC3)[nH]c2c1.

What is the InChIKey of 4-[2-cyclopropyl-7-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-indol-1-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-naphthalen-1-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2-phenyl-3-pyridinyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?

The InChIKey is GKUZUYCQDNJANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O.C25H21N3O.C24H20FN5O.C23H20N4O/c1-15-23(16(2)31-30-15)19-13-21(25-22(14-19)28-26(29-25)18-10-11-18)20-9-6-12-27-24(20)17-7-4-3-5-8-17;1-14-23(15(2)29-28-14)18-12-21(20-9-5-7-16-6-3-4-8-19(16)20)24-22(13-18)26-25(27-24)17-10-11-17;1-12-21(13(2)31-30-12)16-9-18(23-20(10-16)27-24(28-23)15-3-4-15)19-11-26-29-22(19)14-5-7-17(25)8-6-14;1-13-21(14(2)28-26-13)17-11-18-22(25-23(24-18)16-7-8-16)20(12-17)27-10-9-15-5-3-4-6-19(15)27/h3-9,12-14,18H,10-11H2,1-2H3,(H,28,29);3-9,12-13,17H,10-11H2,1-2H3,(H,26,27);5-11,15H,3-4H2,1-2H3,(H,26,29)(H,27,28);3-6,9-12,16H,7-8H2,1-2H3,(H,24,25).

What are the key properties of 4-[2-cyclopropyl-7-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-indol-1-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-naphthalen-1-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2-phenyl-3-pyridinyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?

4-[2-cyclopropyl-7-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-indol-1-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-naphthalen-1-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2-phenyl-3-pyridinyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 1567.85 g/mol, XLogP of 24.54, 14 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-cyclopropyl-7-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-indol-1-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-naphthalen-1-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2-phenyl-3-pyridinyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 158286312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).