1-benzyl-2-oxo-N-[(2-oxo-1,3-dihydroimidazol-4-yl)methyl]pyrrolidine-3-carboxamide

C16H18N4O3 — CID 154780666

IUPAC1-benzyl-2-oxo-N-[(2-oxo-1,3-dihydroimidazol-4-yl)methyl]pyrrolidine-3-carboxamide
SMILESO=C(NCc1c[nH]c(=O)[nH]1)C1CCN(Cc2ccccc2)C1=O
InChIInChI=1S/C16H18N4O3/c21-14(17-8-12-9-18-16(23)19-12)13-6-7-20(15(13)22)10-11-4-2-1-3-5-11/h1-5,9,13H,6-8,10H2,(H,17,21)(H2,18,19,23)
InChIKeyDCOCBVCPROKWMC-UHFFFAOYSA-N
MW314.34 g/mol
LogP0.37
Rot. Bonds5

About 1-benzyl-2-oxo-N-[(2-oxo-1,3-dihydroimidazol-4-yl)methyl]pyrrolidine-3-carboxamide

1-benzyl-2-oxo-N-[(2-oxo-1,3-dihydroimidazol-4-yl)methyl]pyrrolidine-3-carboxamide (PubChem CID 154780666) has the molecular formula C16H18N4O3 and a molecular weight of 314.34 g/mol. Its IUPAC name is 1-benzyl-2-oxo-N-[(2-oxo-1,3-dihydroimidazol-4-yl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-2-oxo-N-[(2-oxo-1,3-dihydroimidazol-4-yl)methyl]pyrrolidine-3-carboxamide
PubChem CID154780666
Molecular FormulaC16H18N4O3
Molecular Weight314.34 g/mol
Exact Mass314.14
IUPAC Name1-benzyl-2-oxo-N-[(2-oxo-1,3-dihydroimidazol-4-yl)methyl]pyrrolidine-3-carboxamide
SMILESO=C(NCc1c[nH]c(=O)[nH]1)C1CCN(Cc2ccccc2)C1=O
InChIInChI=1S/C16H18N4O3/c21-14(17-8-12-9-18-16(23)19-12)13-6-7-20(15(13)22)10-11-4-2-1-3-5-11/h1-5,9,13H,6-8,10H2,(H,17,21)(H2,18,19,23)
InChIKeyDCOCBVCPROKWMC-UHFFFAOYSA-N
XLogP0.37
TPSA98.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-N-(cyclopropylmethyl)-2-oxopyrrolidine-3-carboxamide
CID 166256008
N-benzyl-1-(cyclohexylmethyl)-2-oxopyrrolidine-3-carboxamide
CID 90983267
(3S)-1-benzyl-3-(3-methylbutanoyl)pyrrolidin-2-one
CID 67492991
N-benzyl-2-[(4-fluorophenyl)methyl]-1,6,9-trioxo-4,7,8,9a-tetrahydro-3H-pyrido[1,2-a]pyrazine-7-carboxamide
CID 90699414
N-[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 95589689
1-benzyl-3-(4-fluorophenyl)piperidin-2-one
CID 22733840
(3R)-3-amino-1-benzylpyrrolidin-2-one
CID 11128028
3-amino-1-benzylpyrrolidin-2-one
CID 47002372
N-benzyl-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 46048610
(3R)-N-benzyl-1-(2-benzylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 93330805
4-[(1-benzyl-2-oxopyrrolidin-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120674455
2-[(1-benzyl-2-oxopyrrolidin-3-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120977235

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-oxo-N-[(2-oxo-1,3-dihydroimidazol-4-yl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-benzyl-2-oxo-N-[(2-oxo-1,3-dihydroimidazol-4-yl)methyl]pyrrolidine-3-carboxamide (CID 154780666) is 1-benzyl-2-oxo-N-[(2-oxo-1,3-dihydroimidazol-4-yl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-2-oxo-N-[(2-oxo-1,3-dihydroimidazol-4-yl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-benzyl-2-oxo-N-[(2-oxo-1,3-dihydroimidazol-4-yl)methyl]pyrrolidine-3-carboxamide is O=C(NCc1c[nH]c(=O)[nH]1)C1CCN(Cc2ccccc2)C1=O.
What is the InChIKey of 1-benzyl-2-oxo-N-[(2-oxo-1,3-dihydroimidazol-4-yl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is DCOCBVCPROKWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c21-14(17-8-12-9-18-16(23)19-12)13-6-7-20(15(13)22)10-11-4-2-1-3-5-11/h1-5,9,13H,6-8,10H2,(H,17,21)(H2,18,19,23).
What are the key properties of 1-benzyl-2-oxo-N-[(2-oxo-1,3-dihydroimidazol-4-yl)methyl]pyrrolidine-3-carboxamide?
1-benzyl-2-oxo-N-[(2-oxo-1,3-dihydroimidazol-4-yl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 314.34 g/mol, XLogP of 0.37, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-oxo-N-[(2-oxo-1,3-dihydroimidazol-4-yl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 154780666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).