1-(1H-imidazol-2-ylmethyl)-4-phenylpyrrolidin-2-one

C14H15N3O — CID 67327221

IUPAC1-(1H-imidazol-2-ylmethyl)-4-phenylpyrrolidin-2-one
SMILESO=C1CC(c2ccccc2)CN1Cc1ncc[nH]1
InChIInChI=1S/C14H15N3O/c18-14-8-12(11-4-2-1-3-5-11)9-17(14)10-13-15-6-7-16-13/h1-7,12H,8-10H2,(H,15,16)
InChIKeyGUYSJXHOSAECCN-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.93
Rot. Bonds3

About 1-(1H-imidazol-2-ylmethyl)-4-phenylpyrrolidin-2-one

1-(1H-imidazol-2-ylmethyl)-4-phenylpyrrolidin-2-one (PubChem CID 67327221) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-(1H-imidazol-2-ylmethyl)-4-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(1H-imidazol-2-ylmethyl)-4-phenylpyrrolidin-2-one
PubChem CID67327221
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name1-(1H-imidazol-2-ylmethyl)-4-phenylpyrrolidin-2-one
SMILESO=C1CC(c2ccccc2)CN1Cc1ncc[nH]1
InChIInChI=1S/C14H15N3O/c18-14-8-12(11-4-2-1-3-5-11)9-17(14)10-13-15-6-7-16-13/h1-7,12H,8-10H2,(H,15,16)
InChIKeyGUYSJXHOSAECCN-UHFFFAOYSA-N
XLogP1.93
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-2-ylmethyl)-4-phenylpyrrolidin-2-one?
The IUPAC name of 1-(1H-imidazol-2-ylmethyl)-4-phenylpyrrolidin-2-one (CID 67327221) is 1-(1H-imidazol-2-ylmethyl)-4-phenylpyrrolidin-2-one.
What is the SMILES notation for 1-(1H-imidazol-2-ylmethyl)-4-phenylpyrrolidin-2-one?
The canonical SMILES for 1-(1H-imidazol-2-ylmethyl)-4-phenylpyrrolidin-2-one is O=C1CC(c2ccccc2)CN1Cc1ncc[nH]1.
What is the InChIKey of 1-(1H-imidazol-2-ylmethyl)-4-phenylpyrrolidin-2-one?
The InChIKey is GUYSJXHOSAECCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c18-14-8-12(11-4-2-1-3-5-11)9-17(14)10-13-15-6-7-16-13/h1-7,12H,8-10H2,(H,15,16).
What are the key properties of 1-(1H-imidazol-2-ylmethyl)-4-phenylpyrrolidin-2-one?
1-(1H-imidazol-2-ylmethyl)-4-phenylpyrrolidin-2-one has a molecular weight of 241.29 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-ylmethyl)-4-phenylpyrrolidin-2-one is sourced from PubChem (CID 67327221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).