4-[2-cyclopropyl-7-(2,5-dimethylimidazol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(3,5-dimethylpyrazol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,3-dimethylpyrrol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,5-dimethylpyrrol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole

C82H86N18O4 — CID 159993421

About 4-[2-cyclopropyl-7-(2,5-dimethylimidazol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(3,5-dimethylpyrazol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,3-dimethylpyrrol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,5-dimethylpyrrol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole

4-[2-cyclopropyl-7-(2,5-dimethylimidazol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(3,5-dimethylpyrazol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,3-dimethylpyrrol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,5-dimethylpyrrol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 159993421) has the molecular formula C82H86N18O4 and a molecular weight of 1387.71 g/mol. Its IUPAC name is 4-[2-cyclopropyl-7-(2,5-dimethylimidazol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(3,5-dimethylpyrazol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,3-dimethylpyrrol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,5-dimethylpyrrol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

• Compound Name: 4-[2-cyclopropyl-7-(2,5-dimethylimidazol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(3,5-dimethylpyrazol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,3-dimethylpyrrol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,5-dimethylpyrrol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
• PubChem CID: 159993421
• Molecular Formula: C82H86N18O4
• Molecular Weight: 1387.71 g/mol
• Exact Mass: 1386.71
• IUPAC Name: 4-[2-cyclopropyl-7-(2,5-dimethylimidazol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(3,5-dimethylpyrazol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,3-dimethylpyrrol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,5-dimethylpyrrol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
• SMILES: Cc1cc(C)n(-c2cc(-c3c(C)noc3C)cc3[nH]c(C4CC4)nc23)n1.Cc1ccn(-c2cc(-c3c(C)noc3C)cc3[nH]c(C4CC4)nc23)c1C.Cc1noc(C)c1-c1cc(-n2c(C)ccc2C)c2nc(C3CC3)[nH]c2c1.Cc1noc(C)c1-c1cc(-n2c(C)cnc2C)c2nc(C3CC3)[nH]c2c1
• InChI: InChI=1S/2C21H22N4O.2C20H21N5O/c1-11-7-8-25(13(11)3)18-10-16(19-12(2)24-26-14(19)4)9-17-20(18)23-21(22-17)15-5-6-15;1-11-5-6-12(2)25(11)18-10-16(19-13(3)24-26-14(19)4)9-17-20(18)23-21(22-17)15-7-8-15;1-10-9-21-13(4)25(10)17-8-15(18-11(2)24-26-12(18)3)7-16-19(17)23-20(22-16)14-5-6-14;1-10-7-11(2)25(23-10)17-9-15(18-12(3)24-26-13(18)4)8-16-19(17)22-20(21-16)14-5-6-14/h7-10,15H,5-6H2,1-4H3,(H,22,23);5-6,9-10,15H,7-8H2,1-4H3,(H,22,23);7-9,14H,5-6H2,1-4H3,(H,22,23);7-9,14H,5-6H2,1-4H3,(H,21,22)
• InChIKey: OHFVSNRRJNLVIQ-UHFFFAOYSA-N
• XLogP: 19.27
• TPSA: 264.34 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 12
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1387.71
LogP ≤ 5	19.27
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[2-cyclopropyl-7-(2,5-dimethylimidazol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(3,5-dimethylpyrazol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,3-dimethylpyrrol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,5-dimethylpyrrol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?

The IUPAC name of 4-[2-cyclopropyl-7-(2,5-dimethylimidazol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(3,5-dimethylpyrazol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,3-dimethylpyrrol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,5-dimethylpyrrol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole (CID 159993421) is 4-[2-cyclopropyl-7-(2,5-dimethylimidazol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(3,5-dimethylpyrazol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,3-dimethylpyrrol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,5-dimethylpyrrol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole.

What is the SMILES notation for 4-[2-cyclopropyl-7-(2,5-dimethylimidazol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(3,5-dimethylpyrazol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,3-dimethylpyrrol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,5-dimethylpyrrol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?

The canonical SMILES for 4-[2-cyclopropyl-7-(2,5-dimethylimidazol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(3,5-dimethylpyrazol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,3-dimethylpyrrol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,5-dimethylpyrrol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole is Cc1cc(C)n(-c2cc(-c3c(C)noc3C)cc3[nH]c(C4CC4)nc23)n1.Cc1ccn(-c2cc(-c3c(C)noc3C)cc3[nH]c(C4CC4)nc23)c1C.Cc1noc(C)c1-c1cc(-n2c(C)ccc2C)c2nc(C3CC3)[nH]c2c1.Cc1noc(C)c1-c1cc(-n2c(C)cnc2C)c2nc(C3CC3)[nH]c2c1.

What is the InChIKey of 4-[2-cyclopropyl-7-(2,5-dimethylimidazol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(3,5-dimethylpyrazol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,3-dimethylpyrrol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,5-dimethylpyrrol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?

The InChIKey is OHFVSNRRJNLVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H22N4O.2C20H21N5O/c1-11-7-8-25(13(11)3)18-10-16(19-12(2)24-26-14(19)4)9-17-20(18)23-21(22-17)15-5-6-15;1-11-5-6-12(2)25(11)18-10-16(19-13(3)24-26-14(19)4)9-17-20(18)23-21(22-17)15-7-8-15;1-10-9-21-13(4)25(10)17-8-15(18-11(2)24-26-12(18)3)7-16-19(17)23-20(22-16)14-5-6-14;1-10-7-11(2)25(23-10)17-9-15(18-12(3)24-26-13(18)4)8-16-19(17)22-20(21-16)14-5-6-14/h7-10,15H,5-6H2,1-4H3,(H,22,23);5-6,9-10,15H,7-8H2,1-4H3,(H,22,23);7-9,14H,5-6H2,1-4H3,(H,22,23);7-9,14H,5-6H2,1-4H3,(H,21,22).

What are the key properties of 4-[2-cyclopropyl-7-(2,5-dimethylimidazol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(3,5-dimethylpyrazol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,3-dimethylpyrrol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,5-dimethylpyrrol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?

4-[2-cyclopropyl-7-(2,5-dimethylimidazol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(3,5-dimethylpyrazol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,3-dimethylpyrrol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,5-dimethylpyrrol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 1387.71 g/mol, XLogP of 19.27, 12 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-cyclopropyl-7-(2,5-dimethylimidazol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(3,5-dimethylpyrazol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,3-dimethylpyrrol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,5-dimethylpyrrol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 159993421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).