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

C28H27N3O — CID 17002765

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

1-(2,3-dimethylphenyl)-4-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]pyrrolidin-2-one (PubChem CID 17002765) has the molecular formula C28H27N3O and a molecular weight of 421.54 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-4-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 1-(2,3-dimethylphenyl)-4-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]pyrrolidin-2-one
• PubChem CID: 17002765
• Molecular Formula: C28H27N3O
• Molecular Weight: 421.54 g/mol
• Exact Mass: 421.22
• IUPAC Name: 1-(2,3-dimethylphenyl)-4-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]pyrrolidin-2-one
• SMILES: Cc1cccc(N2CC(c3nc4ccccc4n3C/C=C/c3ccccc3)CC2=O)c1C
• InChI: InChI=1S/C28H27N3O/c1-20-10-8-16-25(21(20)2)31-19-23(18-27(31)32)28-29-24-14-6-7-15-26(24)30(28)17-9-13-22-11-4-3-5-12-22/h3-16,23H,17-19H2,1-2H3/b13-9+
• InChIKey: FRYJDEYYWXTHSL-UKTHLTGXSA-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-(2,3-dimethylphenyl)-4-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]pyrrolidin-2-one?

The IUPAC name of 1-(2,3-dimethylphenyl)-4-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]pyrrolidin-2-one (CID 17002765) is 1-(2,3-dimethylphenyl)-4-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]pyrrolidin-2-one.

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

The canonical SMILES for 1-(2,3-dimethylphenyl)-4-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]pyrrolidin-2-one is Cc1cccc(N2CC(c3nc4ccccc4n3C/C=C/c3ccccc3)CC2=O)c1C.

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

The InChIKey is FRYJDEYYWXTHSL-UKTHLTGXSA-N. The full InChI is InChI=1S/C28H27N3O/c1-20-10-8-16-25(21(20)2)31-19-23(18-27(31)32)28-29-24-14-6-7-15-26(24)30(28)17-9-13-22-11-4-3-5-12-22/h3-16,23H,17-19H2,1-2H3/b13-9+.

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

1-(2,3-dimethylphenyl)-4-[1-[(E)-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-(2,3-dimethylphenyl)-4-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 17002765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).