1-(2-benzylpyrimidin-4-yl)-3-ethylimidazolidin-4-one

C16H18N4O — CID 133499793

IUPAC1-(2-benzylpyrimidin-4-yl)-3-ethylimidazolidin-4-one
SMILESCCN1CN(c2ccnc(Cc3ccccc3)n2)CC1=O
InChIInChI=1S/C16H18N4O/c1-2-19-12-20(11-16(19)21)15-8-9-17-14(18-15)10-13-6-4-3-5-7-13/h3-9H,2,10-12H2,1H3
InChIKeyDQCKYKMFCDLSTD-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.69
Rot. Bonds4

About 1-(2-benzylpyrimidin-4-yl)-3-ethylimidazolidin-4-one

1-(2-benzylpyrimidin-4-yl)-3-ethylimidazolidin-4-one (PubChem CID 133499793) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 1-(2-benzylpyrimidin-4-yl)-3-ethylimidazolidin-4-one.

Molecular Properties

Compound Name1-(2-benzylpyrimidin-4-yl)-3-ethylimidazolidin-4-one
PubChem CID133499793
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name1-(2-benzylpyrimidin-4-yl)-3-ethylimidazolidin-4-one
SMILESCCN1CN(c2ccnc(Cc3ccccc3)n2)CC1=O
InChIInChI=1S/C16H18N4O/c1-2-19-12-20(11-16(19)21)15-8-9-17-14(18-15)10-13-6-4-3-5-7-13/h3-9H,2,10-12H2,1H3
InChIKeyDQCKYKMFCDLSTD-UHFFFAOYSA-N
XLogP1.69
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2-benzylpyrimidin-4-yl)-3-ethylimidazolidin-4-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzylpyrimidin-4-yl)-3-ethylimidazolidin-4-one?
The IUPAC name of 1-(2-benzylpyrimidin-4-yl)-3-ethylimidazolidin-4-one (CID 133499793) is 1-(2-benzylpyrimidin-4-yl)-3-ethylimidazolidin-4-one.
What is the SMILES notation for 1-(2-benzylpyrimidin-4-yl)-3-ethylimidazolidin-4-one?
The canonical SMILES for 1-(2-benzylpyrimidin-4-yl)-3-ethylimidazolidin-4-one is CCN1CN(c2ccnc(Cc3ccccc3)n2)CC1=O.
What is the InChIKey of 1-(2-benzylpyrimidin-4-yl)-3-ethylimidazolidin-4-one?
The InChIKey is DQCKYKMFCDLSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-2-19-12-20(11-16(19)21)15-8-9-17-14(18-15)10-13-6-4-3-5-7-13/h3-9H,2,10-12H2,1H3.
What are the key properties of 1-(2-benzylpyrimidin-4-yl)-3-ethylimidazolidin-4-one?
1-(2-benzylpyrimidin-4-yl)-3-ethylimidazolidin-4-one has a molecular weight of 282.35 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzylpyrimidin-4-yl)-3-ethylimidazolidin-4-one is sourced from PubChem (CID 133499793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).