1-[2-(1H-benzimidazol-2-yl)ethyl]-4-ethenylpyrrolidin-2-one

C15H17N3O — CID 168685350

IUPAC1-[2-(1H-benzimidazol-2-yl)ethyl]-4-ethenylpyrrolidin-2-one
SMILESC=CC1CC(=O)N(CCc2nc3ccccc3[nH]2)C1
InChIInChI=1S/C15H17N3O/c1-2-11-9-15(19)18(10-11)8-7-14-16-12-5-3-4-6-13(12)17-14/h2-6,11H,1,7-10H2,(H,16,17)
InChIKeyLRRGZYGCOZKMID-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.14
Rot. Bonds4

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

1-[2-(1H-benzimidazol-2-yl)ethyl]-4-ethenylpyrrolidin-2-one (PubChem CID 168685350) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-[2-(1H-benzimidazol-2-yl)ethyl]-4-ethenylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(1H-benzimidazol-2-yl)ethyl]-4-ethenylpyrrolidin-2-one
PubChem CID168685350
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name1-[2-(1H-benzimidazol-2-yl)ethyl]-4-ethenylpyrrolidin-2-one
SMILESC=CC1CC(=O)N(CCc2nc3ccccc3[nH]2)C1
InChIInChI=1S/C15H17N3O/c1-2-11-9-15(19)18(10-11)8-7-14-16-12-5-3-4-6-13(12)17-14/h2-6,11H,1,7-10H2,(H,16,17)
InChIKeyLRRGZYGCOZKMID-UHFFFAOYSA-N
XLogP2.14
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(1H-benzimidazol-2-yl)ethyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663130
1-[2-(1H-benzimidazol-2-yl)ethyl]-4-chloropyrrolidin-2-one
CID 168688678
1-[2-(1H-benzimidazol-2-yl)ethyl]-4-sulfanylpyrrolidin-2-one
CID 168709436
1-[2-(1H-benzimidazol-2-yl)ethyl]-5-oxopyrrolidine-3-sulfonamide
CID 168718272
1-(1H-benzimidazol-2-yl)-4-ethenylpyrrolidin-2-one
CID 168686650
4-ethenyl-1-[2-(1H-indol-3-yl)ethyl]pyrrolidin-2-one
CID 168685303
4-ethenyl-1-[2-(1H-indol-6-yl)ethyl]pyrrolidin-2-one
CID 168685309
4-(1H-benzimidazol-2-yl)-1-(2-phenylethyl)pyrrolidin-2-one
CID 6460887
4-(1H-benzimidazol-2-ylmethylamino)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 45231611
4-ethenyl-1-(quinoxalin-2-ylmethyl)pyrrolidin-2-one
CID 168685508
4-ethenyl-1-[2-(1H-imidazol-5-yl)ethyl]pyrrolidin-2-one
CID 168685338
S-[[1-(1H-benzimidazol-2-ylmethyl)-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168667859

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-benzimidazol-2-yl)ethyl]-4-ethenylpyrrolidin-2-one?
The IUPAC name of 1-[2-(1H-benzimidazol-2-yl)ethyl]-4-ethenylpyrrolidin-2-one (CID 168685350) is 1-[2-(1H-benzimidazol-2-yl)ethyl]-4-ethenylpyrrolidin-2-one.
What is the SMILES notation for 1-[2-(1H-benzimidazol-2-yl)ethyl]-4-ethenylpyrrolidin-2-one?
The canonical SMILES for 1-[2-(1H-benzimidazol-2-yl)ethyl]-4-ethenylpyrrolidin-2-one is C=CC1CC(=O)N(CCc2nc3ccccc3[nH]2)C1.
What is the InChIKey of 1-[2-(1H-benzimidazol-2-yl)ethyl]-4-ethenylpyrrolidin-2-one?
The InChIKey is LRRGZYGCOZKMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-2-11-9-15(19)18(10-11)8-7-14-16-12-5-3-4-6-13(12)17-14/h2-6,11H,1,7-10H2,(H,16,17).
What are the key properties of 1-[2-(1H-benzimidazol-2-yl)ethyl]-4-ethenylpyrrolidin-2-one?
1-[2-(1H-benzimidazol-2-yl)ethyl]-4-ethenylpyrrolidin-2-one has a molecular weight of 255.32 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-benzimidazol-2-yl)ethyl]-4-ethenylpyrrolidin-2-one is sourced from PubChem (CID 168685350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).