4-(3-methyl-2-oxoimidazolidin-1-yl)-3-phenylbutanal

C14H18N2O2 — CID 23567551

IUPAC4-(3-methyl-2-oxoimidazolidin-1-yl)-3-phenylbutanal
SMILESCN1CCN(CC(CC=O)c2ccccc2)C1=O
InChIInChI=1S/C14H18N2O2/c1-15-8-9-16(14(15)18)11-13(7-10-17)12-5-3-2-4-6-12/h2-6,10,13H,7-9,11H2,1H3
InChIKeyCZTASUUJPSAPFG-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.73
Rot. Bonds5

About 4-(3-methyl-2-oxoimidazolidin-1-yl)-3-phenylbutanal

4-(3-methyl-2-oxoimidazolidin-1-yl)-3-phenylbutanal (PubChem CID 23567551) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-(3-methyl-2-oxoimidazolidin-1-yl)-3-phenylbutanal.

Molecular Properties

Compound Name4-(3-methyl-2-oxoimidazolidin-1-yl)-3-phenylbutanal
PubChem CID23567551
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name4-(3-methyl-2-oxoimidazolidin-1-yl)-3-phenylbutanal
SMILESCN1CCN(CC(CC=O)c2ccccc2)C1=O
InChIInChI=1S/C14H18N2O2/c1-15-8-9-16(14(15)18)11-13(7-10-17)12-5-3-2-4-6-12/h2-6,10,13H,7-9,11H2,1H3
InChIKeyCZTASUUJPSAPFG-UHFFFAOYSA-N
XLogP1.73
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-methyl-2-oxoimidazolidin-1-yl)-2-phenylpropanethioamide
CID 64535741
(3R)-3-phenylpentanal
CID 12598589
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-methylimidazolidin-2-one
CID 114059412
2-(3-methyl-2-oxoimidazolidin-1-yl)acetaldehyde
CID 57135184
1-methyl-3-(2-phenylsulfanylethyl)imidazolidin-2-one
CID 79349024
(E,3R)-3-phenylhept-5-enal
CID 102328928
1-[2-amino-2-(4-methylphenyl)ethyl]-3-methylimidazolidin-2-one
CID 62490472
(3S)-3-phenylhex-5-enal
CID 11229081
3-phenylheptanal
CID 10954355
1-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]-3-methylimidazolidin-2-one
CID 62491847
1-[2-(ethylamino)-2-(2-methylphenyl)ethyl]-3-methylimidazolidin-2-one
CID 62490466
(3R)-3-cyclopenta-1,3-dien-1-yl-3-phenylpropanal
CID 101420954

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-2-oxoimidazolidin-1-yl)-3-phenylbutanal?
The IUPAC name of 4-(3-methyl-2-oxoimidazolidin-1-yl)-3-phenylbutanal (CID 23567551) is 4-(3-methyl-2-oxoimidazolidin-1-yl)-3-phenylbutanal.
What is the SMILES notation for 4-(3-methyl-2-oxoimidazolidin-1-yl)-3-phenylbutanal?
The canonical SMILES for 4-(3-methyl-2-oxoimidazolidin-1-yl)-3-phenylbutanal is CN1CCN(CC(CC=O)c2ccccc2)C1=O.
What is the InChIKey of 4-(3-methyl-2-oxoimidazolidin-1-yl)-3-phenylbutanal?
The InChIKey is CZTASUUJPSAPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-15-8-9-16(14(15)18)11-13(7-10-17)12-5-3-2-4-6-12/h2-6,10,13H,7-9,11H2,1H3.
What are the key properties of 4-(3-methyl-2-oxoimidazolidin-1-yl)-3-phenylbutanal?
4-(3-methyl-2-oxoimidazolidin-1-yl)-3-phenylbutanal has a molecular weight of 246.31 g/mol, XLogP of 1.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-2-oxoimidazolidin-1-yl)-3-phenylbutanal is sourced from PubChem (CID 23567551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).