5-[4-(3-ethylphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]-1,3-dimethylbenzimidazol-2-one

C24H22N4OS — CID 23581658

About 5-[4-(3-ethylphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]-1,3-dimethylbenzimidazol-2-one

5-[4-(3-ethylphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]-1,3-dimethylbenzimidazol-2-one (PubChem CID 23581658) has the molecular formula C24H22N4OS and a molecular weight of 414.53 g/mol. Its IUPAC name is 5-[4-(3-ethylphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]-1,3-dimethylbenzimidazol-2-one.

Molecular Properties

• Compound Name: 5-[4-(3-ethylphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]-1,3-dimethylbenzimidazol-2-one
• PubChem CID: 23581658
• Molecular Formula: C24H22N4OS
• Molecular Weight: 414.53 g/mol
• Exact Mass: 414.15
• IUPAC Name: 5-[4-(3-ethylphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]-1,3-dimethylbenzimidazol-2-one
• SMILES: CCc1cccc(-c2nc(-c3cccs3)[nH]c2-c2ccc3c(c2)n(C)c(=O)n3C)c1
• InChI: InChI=1S/C24H22N4OS/c1-4-15-7-5-8-16(13-15)21-22(26-23(25-21)20-9-6-12-30-20)17-10-11-18-19(14-17)28(3)24(29)27(18)2/h5-14H,4H2,1-3H3,(H,25,26)
• InChIKey: JVRNWORTFYDDFN-UHFFFAOYSA-N
• XLogP: 5.22
• TPSA: 55.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	414.53
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-ethylphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]-1,3-dimethylbenzimidazol-2-one?

The IUPAC name of 5-[4-(3-ethylphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]-1,3-dimethylbenzimidazol-2-one (CID 23581658) is 5-[4-(3-ethylphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]-1,3-dimethylbenzimidazol-2-one.

What is the SMILES notation for 5-[4-(3-ethylphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]-1,3-dimethylbenzimidazol-2-one?

The canonical SMILES for 5-[4-(3-ethylphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]-1,3-dimethylbenzimidazol-2-one is CCc1cccc(-c2nc(-c3cccs3)[nH]c2-c2ccc3c(c2)n(C)c(=O)n3C)c1.

What is the InChIKey of 5-[4-(3-ethylphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]-1,3-dimethylbenzimidazol-2-one?

The InChIKey is JVRNWORTFYDDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4OS/c1-4-15-7-5-8-16(13-15)21-22(26-23(25-21)20-9-6-12-30-20)17-10-11-18-19(14-17)28(3)24(29)27(18)2/h5-14H,4H2,1-3H3,(H,25,26).

What are the key properties of 5-[4-(3-ethylphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]-1,3-dimethylbenzimidazol-2-one?

5-[4-(3-ethylphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]-1,3-dimethylbenzimidazol-2-one has a molecular weight of 414.53 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(3-ethylphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]-1,3-dimethylbenzimidazol-2-one is sourced from PubChem (CID 23581658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).