4-[2-cyclopropyl-7-(2,3-dimethylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(3,5-dimethylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-indolizin-3-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-quinolin-8-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;methane

C94H90N14O4 — CID 157153142

About 4-[2-cyclopropyl-7-(2,3-dimethylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(3,5-dimethylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-indolizin-3-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-quinolin-8-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;methane

4-[2-cyclopropyl-7-(2,3-dimethylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(3,5-dimethylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-indolizin-3-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-quinolin-8-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;methane (PubChem CID 157153142) has the molecular formula C94H90N14O4 and a molecular weight of 1479.85 g/mol. Its IUPAC name is 4-[2-cyclopropyl-7-(2,3-dimethylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(3,5-dimethylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-indolizin-3-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-quinolin-8-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;methane.

Molecular Properties

• Compound Name: 4-[2-cyclopropyl-7-(2,3-dimethylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(3,5-dimethylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-indolizin-3-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-quinolin-8-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;methane
• PubChem CID: 157153142
• Molecular Formula: C94H90N14O4
• Molecular Weight: 1479.85 g/mol
• Exact Mass: 1478.73
• IUPAC Name: 4-[2-cyclopropyl-7-(2,3-dimethylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(3,5-dimethylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-indolizin-3-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-quinolin-8-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;methane
• SMILES: C.Cc1cc(C)cc(-c2cc(-c3c(C)noc3C)cc3[nH]c(C4CC4)nc23)c1.Cc1cccc(-c2cc(-c3c(C)noc3C)cc3[nH]c(C4CC4)nc23)c1C.Cc1noc(C)c1-c1cc(-c2ccc3ccccn23)c2nc(C3CC3)[nH]c2c1.Cc1noc(C)c1-c1cc(-c2cccc3cccnc23)c2nc(C3CC3)[nH]c2c1
• InChI: InChI=1S/C24H20N4O.C23H20N4O.2C23H23N3O.CH4/c1-13-21(14(2)29-28-13)17-11-19(18-7-3-5-15-6-4-10-25-22(15)18)23-20(12-17)26-24(27-23)16-8-9-16;1-13-21(14(2)28-26-13)16-11-18(20-9-8-17-5-3-4-10-27(17)20)22-19(12-16)24-23(25-22)15-6-7-15;1-12-7-13(2)9-17(8-12)19-10-18(21-14(3)26-27-15(21)4)11-20-22(19)25-23(24-20)16-5-6-16;1-12-6-5-7-18(13(12)2)19-10-17(21-14(3)26-27-15(21)4)11-20-22(19)25-23(24-20)16-8-9-16;/h3-7,10-12,16H,8-9H2,1-2H3,(H,26,27);3-5,8-12,15H,6-7H2,1-2H3,(H,24,25);7-11,16H,5-6H2,1-4H3,(H,24,25);5-7,10-11,16H,8-9H2,1-4H3,(H,24,25);1H4
• InChIKey: ALMKOKXBJAXCAO-UHFFFAOYSA-N
• XLogP: 24.19
• TPSA: 236.14 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 12
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1479.85
LogP ≤ 5	24.19
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 4-[2-cyclopropyl-7-(2,3-dimethylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(3,5-dimethylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-indolizin-3-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-quinolin-8-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;methane?

The IUPAC name of 4-[2-cyclopropyl-7-(2,3-dimethylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(3,5-dimethylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-indolizin-3-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-quinolin-8-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;methane (CID 157153142) is 4-[2-cyclopropyl-7-(2,3-dimethylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(3,5-dimethylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-indolizin-3-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-quinolin-8-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;methane.

What is the SMILES notation for 4-[2-cyclopropyl-7-(2,3-dimethylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(3,5-dimethylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-indolizin-3-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-quinolin-8-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;methane?

The canonical SMILES for 4-[2-cyclopropyl-7-(2,3-dimethylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(3,5-dimethylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-indolizin-3-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-quinolin-8-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;methane is C.Cc1cc(C)cc(-c2cc(-c3c(C)noc3C)cc3[nH]c(C4CC4)nc23)c1.Cc1cccc(-c2cc(-c3c(C)noc3C)cc3[nH]c(C4CC4)nc23)c1C.Cc1noc(C)c1-c1cc(-c2ccc3ccccn23)c2nc(C3CC3)[nH]c2c1.Cc1noc(C)c1-c1cc(-c2cccc3cccnc23)c2nc(C3CC3)[nH]c2c1.

What is the InChIKey of 4-[2-cyclopropyl-7-(2,3-dimethylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(3,5-dimethylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-indolizin-3-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-quinolin-8-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;methane?

The InChIKey is ALMKOKXBJAXCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O.C23H20N4O.2C23H23N3O.CH4/c1-13-21(14(2)29-28-13)17-11-19(18-7-3-5-15-6-4-10-25-22(15)18)23-20(12-17)26-24(27-23)16-8-9-16;1-13-21(14(2)28-26-13)16-11-18(20-9-8-17-5-3-4-10-27(17)20)22-19(12-16)24-23(25-22)15-6-7-15;1-12-7-13(2)9-17(8-12)19-10-18(21-14(3)26-27-15(21)4)11-20-22(19)25-23(24-20)16-5-6-16;1-12-6-5-7-18(13(12)2)19-10-17(21-14(3)26-27-15(21)4)11-20-22(19)25-23(24-20)16-8-9-16;/h3-7,10-12,16H,8-9H2,1-2H3,(H,26,27);3-5,8-12,15H,6-7H2,1-2H3,(H,24,25);7-11,16H,5-6H2,1-4H3,(H,24,25);5-7,10-11,16H,8-9H2,1-4H3,(H,24,25);1H4.

What are the key properties of 4-[2-cyclopropyl-7-(2,3-dimethylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(3,5-dimethylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-indolizin-3-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-quinolin-8-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;methane?

4-[2-cyclopropyl-7-(2,3-dimethylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(3,5-dimethylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-indolizin-3-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-quinolin-8-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;methane has a molecular weight of 1479.85 g/mol, XLogP of 24.19, 12 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-cyclopropyl-7-(2,3-dimethylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(3,5-dimethylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-indolizin-3-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-quinolin-8-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;methane is sourced from PubChem (CID 157153142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).