4-[2-cyclopropyl-7-(3-cyclopropyl-5-methyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(3,5-dicyclopropyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,6-dimethylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(5-methyl-3-phenyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(4,5,6,7-tetrahydroindol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole

C120H121N19O5 — CID 157154436

About 4-[2-cyclopropyl-7-(3-cyclopropyl-5-methyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(3,5-dicyclopropyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,6-dimethylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(5-methyl-3-phenyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(4,5,6,7-tetrahydroindol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole

4-[2-cyclopropyl-7-(3-cyclopropyl-5-methyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(3,5-dicyclopropyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,6-dimethylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(5-methyl-3-phenyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(4,5,6,7-tetrahydroindol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 157154436) has the molecular formula C120H121N19O5 and a molecular weight of 1909.42 g/mol. Its IUPAC name is 4-[2-cyclopropyl-7-(3-cyclopropyl-5-methyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(3,5-dicyclopropyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,6-dimethylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(5-methyl-3-phenyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(4,5,6,7-tetrahydroindol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

• Compound Name: 4-[2-cyclopropyl-7-(3-cyclopropyl-5-methyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(3,5-dicyclopropyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,6-dimethylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(5-methyl-3-phenyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(4,5,6,7-tetrahydroindol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
• PubChem CID: 157154436
• Molecular Formula: C120H121N19O5
• Molecular Weight: 1909.42 g/mol
• Exact Mass: 1907.98
• IUPAC Name: 4-[2-cyclopropyl-7-(3-cyclopropyl-5-methyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(3,5-dicyclopropyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,6-dimethylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(5-methyl-3-phenyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(4,5,6,7-tetrahydroindol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
• SMILES: CC1=NCC(C2CC2)=C1c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3)nc12.CC1=NCC(c2ccccc2)=C1c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3)nc12.Cc1cccc(C)c1-c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3)nc12.Cc1noc(C)c1-c1cc(-n2ccc3c2CCCC3)c2nc(C3CC3)[nH]c2c1.Cc1noc(C)c1-c1cc(C2=C(C3CC3)CN=C2C2CC2)c2nc(C3CC3)[nH]c2c1
• InChI: InChI=1S/C26H24N4O.C25H26N4O.2C23H24N4O.C23H23N3O/c1-14-24(21(13-27-14)17-7-5-4-6-8-17)20-11-19(23-15(2)30-31-16(23)3)12-22-25(20)29-26(28-22)18-9-10-18;1-12-21(13(2)30-29-12)17-9-18(24-20(10-17)27-25(28-24)16-7-8-16)22-19(14-3-4-14)11-26-23(22)15-5-6-15;1-11-21(18(10-24-11)14-4-5-14)17-8-16(20-12(2)27-28-13(20)3)9-19-22(17)26-23(25-19)15-6-7-15;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;1-12-6-5-7-13(2)20(12)18-10-17(21-14(3)26-27-15(21)4)11-19-22(18)25-23(24-19)16-8-9-16/h4-8,11-12,18H,9-10,13H2,1-3H3,(H,28,29);9-10,14-16H,3-8,11H2,1-2H3,(H,27,28);8-9,14-15H,4-7,10H2,1-3H3,(H,25,26);9-12,16H,3-8H2,1-2H3,(H,24,25);5-7,10-11,16H,8-9H2,1-4H3,(H,24,25)
• InChIKey: ALQJVRMGPUKRTC-UHFFFAOYSA-N
• XLogP: 28.57
• TPSA: 315.56 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Rotatable Bonds: 19
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1909.42
LogP ≤ 5	28.57
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 4-[2-cyclopropyl-7-(3-cyclopropyl-5-methyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(3,5-dicyclopropyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,6-dimethylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(5-methyl-3-phenyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(4,5,6,7-tetrahydroindol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole (CID 157154436) is 4-[2-cyclopropyl-7-(3-cyclopropyl-5-methyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(3,5-dicyclopropyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,6-dimethylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(5-methyl-3-phenyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(4,5,6,7-tetrahydroindol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole.

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

The canonical SMILES for 4-[2-cyclopropyl-7-(3-cyclopropyl-5-methyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(3,5-dicyclopropyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,6-dimethylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(5-methyl-3-phenyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(4,5,6,7-tetrahydroindol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole is CC1=NCC(C2CC2)=C1c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3)nc12.CC1=NCC(c2ccccc2)=C1c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3)nc12.Cc1cccc(C)c1-c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3)nc12.Cc1noc(C)c1-c1cc(-n2ccc3c2CCCC3)c2nc(C3CC3)[nH]c2c1.Cc1noc(C)c1-c1cc(C2=C(C3CC3)CN=C2C2CC2)c2nc(C3CC3)[nH]c2c1.

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

The InChIKey is ALQJVRMGPUKRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O.C25H26N4O.2C23H24N4O.C23H23N3O/c1-14-24(21(13-27-14)17-7-5-4-6-8-17)20-11-19(23-15(2)30-31-16(23)3)12-22-25(20)29-26(28-22)18-9-10-18;1-12-21(13(2)30-29-12)17-9-18(24-20(10-17)27-25(28-24)16-7-8-16)22-19(14-3-4-14)11-26-23(22)15-5-6-15;1-11-21(18(10-24-11)14-4-5-14)17-8-16(20-12(2)27-28-13(20)3)9-19-22(17)26-23(25-19)15-6-7-15;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;1-12-6-5-7-13(2)20(12)18-10-17(21-14(3)26-27-15(21)4)11-19-22(18)25-23(24-19)16-8-9-16/h4-8,11-12,18H,9-10,13H2,1-3H3,(H,28,29);9-10,14-16H,3-8,11H2,1-2H3,(H,27,28);8-9,14-15H,4-7,10H2,1-3H3,(H,25,26);9-12,16H,3-8H2,1-2H3,(H,24,25);5-7,10-11,16H,8-9H2,1-4H3,(H,24,25).

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

4-[2-cyclopropyl-7-(3-cyclopropyl-5-methyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(3,5-dicyclopropyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,6-dimethylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(5-methyl-3-phenyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(4,5,6,7-tetrahydroindol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 1909.42 g/mol, XLogP of 28.57, 19 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-cyclopropyl-7-(3-cyclopropyl-5-methyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(3,5-dicyclopropyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,6-dimethylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(5-methyl-3-phenyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(4,5,6,7-tetrahydroindol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 157154436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).