4-[2-cyclopropyl-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(2,6-dimethylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(1,3-dimethylpyrrol-2-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(3,5-dimethyl-2H-pyrrol-4-yl)-2-(1-fluorocyclopropyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole

C80H80FN15O4 — CID 158251976

About 4-[2-cyclopropyl-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(2,6-dimethylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(1,3-dimethylpyrrol-2-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(3,5-dimethyl-2H-pyrrol-4-yl)-2-(1-fluorocyclopropyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole

4-[2-cyclopropyl-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(2,6-dimethylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(1,3-dimethylpyrrol-2-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(3,5-dimethyl-2H-pyrrol-4-yl)-2-(1-fluorocyclopropyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 158251976) has the molecular formula C80H80FN15O4 and a molecular weight of 1334.62 g/mol. Its IUPAC name is 4-[2-cyclopropyl-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(2,6-dimethylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(1,3-dimethylpyrrol-2-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(3,5-dimethyl-2H-pyrrol-4-yl)-2-(1-fluorocyclopropyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

• Compound Name: 4-[2-cyclopropyl-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(2,6-dimethylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(1,3-dimethylpyrrol-2-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(3,5-dimethyl-2H-pyrrol-4-yl)-2-(1-fluorocyclopropyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
• PubChem CID: 158251976
• Molecular Formula: C80H80FN15O4
• Molecular Weight: 1334.62 g/mol
• Exact Mass: 1333.65
• IUPAC Name: 4-[2-cyclopropyl-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(2,6-dimethylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(1,3-dimethylpyrrol-2-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(3,5-dimethyl-2H-pyrrol-4-yl)-2-(1-fluorocyclopropyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
• SMILES: CC1=NCC(C)=C1c1cc(-c2c(C)noc2C)cc2[nH]c(C3(F)CC3)nc12.CC1=NCC(C)=C1c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3)nc12.Cc1cccc(C)c1-c1cc(-c2c(C)noc2C)cc2[nH]cnc12.Cc1ccn(C)c1-c1cc(-c2c(C)noc2C)cc2[nH]cnc12
• InChI: InChI=1S/C21H21FN4O.C21H22N4O.C20H19N3O.C18H18N4O/c1-10-9-23-11(2)17(10)15-7-14(18-12(3)26-27-13(18)4)8-16-19(15)25-20(24-16)21(22)5-6-21;1-10-9-22-11(2)18(10)16-7-15(19-12(3)25-26-13(19)4)8-17-20(16)24-21(23-17)14-5-6-14;1-11-6-5-7-12(2)18(11)16-8-15(9-17-20(16)22-10-21-17)19-13(3)23-24-14(19)4;1-10-5-6-22(4)18(10)14-7-13(8-15-17(14)20-9-19-15)16-11(2)21-23-12(16)3/h7-8H,5-6,9H2,1-4H3,(H,24,25);7-8,14H,5-6,9H2,1-4H3,(H,23,24);5-10H,1-4H3,(H,21,22);5-9H,1-4H3,(H,19,20)
• InChIKey: GGVCKXKNGKGWKC-UHFFFAOYSA-N
• XLogP: 19.27
• TPSA: 248.49 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 10
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1334.62
LogP ≤ 5	19.27
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 4-[2-cyclopropyl-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(2,6-dimethylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(1,3-dimethylpyrrol-2-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(3,5-dimethyl-2H-pyrrol-4-yl)-2-(1-fluorocyclopropyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?

The IUPAC name of 4-[2-cyclopropyl-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(2,6-dimethylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(1,3-dimethylpyrrol-2-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(3,5-dimethyl-2H-pyrrol-4-yl)-2-(1-fluorocyclopropyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole (CID 158251976) is 4-[2-cyclopropyl-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(2,6-dimethylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(1,3-dimethylpyrrol-2-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(3,5-dimethyl-2H-pyrrol-4-yl)-2-(1-fluorocyclopropyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole.

What is the SMILES notation for 4-[2-cyclopropyl-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(2,6-dimethylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(1,3-dimethylpyrrol-2-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(3,5-dimethyl-2H-pyrrol-4-yl)-2-(1-fluorocyclopropyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?

The canonical SMILES for 4-[2-cyclopropyl-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(2,6-dimethylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(1,3-dimethylpyrrol-2-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(3,5-dimethyl-2H-pyrrol-4-yl)-2-(1-fluorocyclopropyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole is CC1=NCC(C)=C1c1cc(-c2c(C)noc2C)cc2[nH]c(C3(F)CC3)nc12.CC1=NCC(C)=C1c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3)nc12.Cc1cccc(C)c1-c1cc(-c2c(C)noc2C)cc2[nH]cnc12.Cc1ccn(C)c1-c1cc(-c2c(C)noc2C)cc2[nH]cnc12.

What is the InChIKey of 4-[2-cyclopropyl-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(2,6-dimethylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(1,3-dimethylpyrrol-2-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(3,5-dimethyl-2H-pyrrol-4-yl)-2-(1-fluorocyclopropyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?

The InChIKey is GGVCKXKNGKGWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O.C21H22N4O.C20H19N3O.C18H18N4O/c1-10-9-23-11(2)17(10)15-7-14(18-12(3)26-27-13(18)4)8-16-19(15)25-20(24-16)21(22)5-6-21;1-10-9-22-11(2)18(10)16-7-15(19-12(3)25-26-13(19)4)8-17-20(16)24-21(23-17)14-5-6-14;1-11-6-5-7-12(2)18(11)16-8-15(9-17-20(16)22-10-21-17)19-13(3)23-24-14(19)4;1-10-5-6-22(4)18(10)14-7-13(8-15-17(14)20-9-19-15)16-11(2)21-23-12(16)3/h7-8H,5-6,9H2,1-4H3,(H,24,25);7-8,14H,5-6,9H2,1-4H3,(H,23,24);5-10H,1-4H3,(H,21,22);5-9H,1-4H3,(H,19,20).

What are the key properties of 4-[2-cyclopropyl-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(2,6-dimethylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(1,3-dimethylpyrrol-2-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(3,5-dimethyl-2H-pyrrol-4-yl)-2-(1-fluorocyclopropyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?

4-[2-cyclopropyl-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(2,6-dimethylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(1,3-dimethylpyrrol-2-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(3,5-dimethyl-2H-pyrrol-4-yl)-2-(1-fluorocyclopropyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 1334.62 g/mol, XLogP of 19.27, 10 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-cyclopropyl-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(2,6-dimethylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(1,3-dimethylpyrrol-2-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(3,5-dimethyl-2H-pyrrol-4-yl)-2-(1-fluorocyclopropyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 158251976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).