1-(3,5-dimethylphenyl)-4-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one

C27H27N3O — CID 4754257

About 1-(3,5-dimethylphenyl)-4-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one

1-(3,5-dimethylphenyl)-4-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one (PubChem CID 4754257) has the molecular formula C27H27N3O and a molecular weight of 409.53 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-4-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 1-(3,5-dimethylphenyl)-4-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
• PubChem CID: 4754257
• Molecular Formula: C27H27N3O
• Molecular Weight: 409.53 g/mol
• Exact Mass: 409.22
• IUPAC Name: 1-(3,5-dimethylphenyl)-4-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
• SMILES: Cc1cccc(Cn2c(C3CC(=O)N(c4cc(C)cc(C)c4)C3)nc3ccccc32)c1
• InChI: InChI=1S/C27H27N3O/c1-18-7-6-8-21(12-18)16-30-25-10-5-4-9-24(25)28-27(30)22-15-26(31)29(17-22)23-13-19(2)11-20(3)14-23/h4-14,22H,15-17H2,1-3H3
• InChIKey: ZRIUQXGONOVQFB-UHFFFAOYSA-N
• XLogP: 5.53
• TPSA: 38.13 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	409.53
LogP ≤ 5	5.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-4-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one?

The IUPAC name of 1-(3,5-dimethylphenyl)-4-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one (CID 4754257) is 1-(3,5-dimethylphenyl)-4-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one.

What is the SMILES notation for 1-(3,5-dimethylphenyl)-4-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one?

The canonical SMILES for 1-(3,5-dimethylphenyl)-4-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one is Cc1cccc(Cn2c(C3CC(=O)N(c4cc(C)cc(C)c4)C3)nc3ccccc32)c1.

What is the InChIKey of 1-(3,5-dimethylphenyl)-4-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one?

The InChIKey is ZRIUQXGONOVQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O/c1-18-7-6-8-21(12-18)16-30-25-10-5-4-9-24(25)28-27(30)22-15-26(31)29(17-22)23-13-19(2)11-20(3)14-23/h4-14,22H,15-17H2,1-3H3.

What are the key properties of 1-(3,5-dimethylphenyl)-4-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one?

1-(3,5-dimethylphenyl)-4-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one has a molecular weight of 409.53 g/mol, XLogP of 5.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3,5-dimethylphenyl)-4-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 4754257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).