1-(1H-benzimidazol-2-yl)-4-ethenylpyrrolidin-2-one

C13H13N3O — CID 168686650

IUPAC1-(1H-benzimidazol-2-yl)-4-ethenylpyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C13H13N3O/c1-2-9-7-12(17)16(8-9)13-14-10-5-3-4-6-11(10)15-13/h2-6,9H,1,7-8H2,(H,14,15)
InChIKeyZPPGKPZNVOBANB-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.10
Rot. Bonds2

About 1-(1H-benzimidazol-2-yl)-4-ethenylpyrrolidin-2-one

1-(1H-benzimidazol-2-yl)-4-ethenylpyrrolidin-2-one (PubChem CID 168686650) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-yl)-4-ethenylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(1H-benzimidazol-2-yl)-4-ethenylpyrrolidin-2-one
PubChem CID168686650
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name1-(1H-benzimidazol-2-yl)-4-ethenylpyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C13H13N3O/c1-2-9-7-12(17)16(8-9)13-14-10-5-3-4-6-11(10)15-13/h2-6,9H,1,7-8H2,(H,14,15)
InChIKeyZPPGKPZNVOBANB-UHFFFAOYSA-N
XLogP2.10
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(1H-benzimidazol-2-yl)-4-ethenylpyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(1H-benzimidazol-2-yl)ethyl]-4-ethenylpyrrolidin-2-one
CID 168685350
1-(6-amino-4-sulfanylidene-1H-1,3,5-triazin-2-yl)-4-ethenylpyrrolidin-2-one
CID 168686632
4-ethenyl-1-pyrimidin-2-ylpyrrolidin-2-one
CID 168686694
4-ethenyl-1-isoquinolin-4-ylpyrrolidin-2-one
CID 168686565
6-amino-4-(4-ethenyl-2-oxopyrrolidin-1-yl)-1H-1,3,5-triazin-2-one
CID 168686629
4-ethenyl-1-(5-phenyl-2-pyridinyl)pyrrolidin-2-one
CID 168685936
1-(2,3-dimethylquinoxalin-6-yl)-4-ethenylpyrrolidin-2-one
CID 168684643
4-ethenyl-1-[4-(4-fluorophenyl)phenyl]pyrrolidin-2-one
CID 168685874
4-ethenyl-1-(2-phenylpyrazol-3-yl)pyrrolidin-2-one
CID 168686545
1-(5,6-dibromo-2-pyridinyl)-4-ethenylpyrrolidin-2-one
CID 168686161
1-[2-(aminomethyl)phenyl]-4-ethenylpyrrolidin-2-one
CID 168685419
1-(3,5-dibromo-4-pyridinyl)-4-ethenylpyrrolidin-2-one
CID 168685536

Frequently Asked Questions

What is the IUPAC name of 1-(1H-benzimidazol-2-yl)-4-ethenylpyrrolidin-2-one?
The IUPAC name of 1-(1H-benzimidazol-2-yl)-4-ethenylpyrrolidin-2-one (CID 168686650) is 1-(1H-benzimidazol-2-yl)-4-ethenylpyrrolidin-2-one.
What is the SMILES notation for 1-(1H-benzimidazol-2-yl)-4-ethenylpyrrolidin-2-one?
The canonical SMILES for 1-(1H-benzimidazol-2-yl)-4-ethenylpyrrolidin-2-one is C=CC1CC(=O)N(c2nc3ccccc3[nH]2)C1.
What is the InChIKey of 1-(1H-benzimidazol-2-yl)-4-ethenylpyrrolidin-2-one?
The InChIKey is ZPPGKPZNVOBANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-2-9-7-12(17)16(8-9)13-14-10-5-3-4-6-11(10)15-13/h2-6,9H,1,7-8H2,(H,14,15).
What are the key properties of 1-(1H-benzimidazol-2-yl)-4-ethenylpyrrolidin-2-one?
1-(1H-benzimidazol-2-yl)-4-ethenylpyrrolidin-2-one has a molecular weight of 227.27 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-benzimidazol-2-yl)-4-ethenylpyrrolidin-2-one is sourced from PubChem (CID 168686650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).