1-benzyl-4-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]pyrrolidin-2-one

C22H23N3O — CID 4754187

IUPAC1-benzyl-4-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]pyrrolidin-2-one
SMILESC=C(C)Cn1c(C2CC(=O)N(Cc3ccccc3)C2)nc2ccccc21
InChIInChI=1S/C22H23N3O/c1-16(2)13-25-20-11-7-6-10-19(20)23-22(25)18-12-21(26)24(15-18)14-17-8-4-3-5-9-17/h3-11,18H,1,12-15H2,2H3
InChIKeyAUYFWUOHXYLSEW-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.13
Rot. Bonds5

About 1-benzyl-4-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]pyrrolidin-2-one

1-benzyl-4-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]pyrrolidin-2-one (PubChem CID 4754187) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 1-benzyl-4-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-benzyl-4-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]pyrrolidin-2-one
PubChem CID4754187
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name1-benzyl-4-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]pyrrolidin-2-one
SMILESC=C(C)Cn1c(C2CC(=O)N(Cc3ccccc3)C2)nc2ccccc21
InChIInChI=1S/C22H23N3O/c1-16(2)13-25-20-11-7-6-10-19(20)23-22(25)18-12-21(26)24(15-18)14-17-8-4-3-5-9-17/h3-11,18H,1,12-15H2,2H3
InChIKeyAUYFWUOHXYLSEW-UHFFFAOYSA-N
XLogP4.13
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-benzyl-4-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]pyrrolidin-2-one (CID 4754187) is 1-benzyl-4-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-benzyl-4-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-benzyl-4-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]pyrrolidin-2-one is C=C(C)Cn1c(C2CC(=O)N(Cc3ccccc3)C2)nc2ccccc21.
What is the InChIKey of 1-benzyl-4-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]pyrrolidin-2-one?
The InChIKey is AUYFWUOHXYLSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-16(2)13-25-20-11-7-6-10-19(20)23-22(25)18-12-21(26)24(15-18)14-17-8-4-3-5-9-17/h3-11,18H,1,12-15H2,2H3.
What are the key properties of 1-benzyl-4-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]pyrrolidin-2-one?
1-benzyl-4-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]pyrrolidin-2-one has a molecular weight of 345.45 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 4754187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).