1-(2,4-dimethylphenyl)-4-[1-(3-phenylprop-2-enyl)benzimidazol-2-yl]pyrrolidin-2-one

C28H27N3O — CID 2959864

About 1-(2,4-dimethylphenyl)-4-[1-(3-phenylprop-2-enyl)benzimidazol-2-yl]pyrrolidin-2-one

1-(2,4-dimethylphenyl)-4-[1-(3-phenylprop-2-enyl)benzimidazol-2-yl]pyrrolidin-2-one (PubChem CID 2959864) has the molecular formula C28H27N3O and a molecular weight of 421.54 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-4-[1-(3-phenylprop-2-enyl)benzimidazol-2-yl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 1-(2,4-dimethylphenyl)-4-[1-(3-phenylprop-2-enyl)benzimidazol-2-yl]pyrrolidin-2-one
• PubChem CID: 2959864
• Molecular Formula: C28H27N3O
• Molecular Weight: 421.54 g/mol
• Exact Mass: 421.22
• IUPAC Name: 1-(2,4-dimethylphenyl)-4-[1-(3-phenylprop-2-enyl)benzimidazol-2-yl]pyrrolidin-2-one
• SMILES: Cc1ccc(N2CC(c3nc4ccccc4n3CC=Cc3ccccc3)CC2=O)c(C)c1
• InChI: InChI=1S/C28H27N3O/c1-20-14-15-25(21(2)17-20)31-19-23(18-27(31)32)28-29-24-12-6-7-13-26(24)30(28)16-8-11-22-9-4-3-5-10-22/h3-15,17,23H,16,18-19H2,1-2H3
• InChIKey: KXIWGYLMZRQZQL-UHFFFAOYSA-N
• XLogP: 5.89
• TPSA: 38.13 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	421.54
LogP ≤ 5	5.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 1-(2,4-dimethylphenyl)-4-[1-(3-phenylprop-2-enyl)benzimidazol-2-yl]pyrrolidin-2-one (CID 2959864) is 1-(2,4-dimethylphenyl)-4-[1-(3-phenylprop-2-enyl)benzimidazol-2-yl]pyrrolidin-2-one.

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

The canonical SMILES for 1-(2,4-dimethylphenyl)-4-[1-(3-phenylprop-2-enyl)benzimidazol-2-yl]pyrrolidin-2-one is Cc1ccc(N2CC(c3nc4ccccc4n3CC=Cc3ccccc3)CC2=O)c(C)c1.

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

The InChIKey is KXIWGYLMZRQZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O/c1-20-14-15-25(21(2)17-20)31-19-23(18-27(31)32)28-29-24-12-6-7-13-26(24)30(28)16-8-11-22-9-4-3-5-10-22/h3-15,17,23H,16,18-19H2,1-2H3.

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

1-(2,4-dimethylphenyl)-4-[1-(3-phenylprop-2-enyl)benzimidazol-2-yl]pyrrolidin-2-one has a molecular weight of 421.54 g/mol, XLogP of 5.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,4-dimethylphenyl)-4-[1-(3-phenylprop-2-enyl)benzimidazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 2959864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).