1-(1-aminopropan-2-yl)-4-(3-methylphenyl)imidazolidin-2-one

C13H19N3O — CID 116978347

IUPAC1-(1-aminopropan-2-yl)-4-(3-methylphenyl)imidazolidin-2-one
SMILESCc1cccc(C2CN(C(C)CN)C(=O)N2)c1
InChIInChI=1S/C13H19N3O/c1-9-4-3-5-11(6-9)12-8-16(10(2)7-14)13(17)15-12/h3-6,10,12H,7-8,14H2,1-2H3,(H,15,17)
InChIKeyZMBKOUFYOHLMMD-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.41
Rot. Bonds3

About 1-(1-aminopropan-2-yl)-4-(3-methylphenyl)imidazolidin-2-one

1-(1-aminopropan-2-yl)-4-(3-methylphenyl)imidazolidin-2-one (PubChem CID 116978347) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(1-aminopropan-2-yl)-4-(3-methylphenyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(1-aminopropan-2-yl)-4-(3-methylphenyl)imidazolidin-2-one
PubChem CID116978347
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-(1-aminopropan-2-yl)-4-(3-methylphenyl)imidazolidin-2-one
SMILESCc1cccc(C2CN(C(C)CN)C(=O)N2)c1
InChIInChI=1S/C13H19N3O/c1-9-4-3-5-11(6-9)12-8-16(10(2)7-14)13(17)15-12/h3-6,10,12H,7-8,14H2,1-2H3,(H,15,17)
InChIKeyZMBKOUFYOHLMMD-UHFFFAOYSA-N
XLogP1.41
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-aminobutan-2-yl)-4-(3-fluorophenyl)imidazolidin-2-one
CID 116978671
1-(1-aminopropan-2-yl)-4-(3-methylthiophen-2-yl)imidazolidin-2-one
CID 116978369
1-(1-aminopropan-2-yl)-4-propan-2-ylimidazolidin-2-one
CID 116978304
3-[4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]butanoic acid
CID 116979660
1-(4-aminobutan-2-yl)-4-(2-methoxyphenyl)imidazolidin-2-one
CID 116978676
4-amino-6-(3-methylphenyl)piperidin-2-one
CID 83819738
1-(2-aminopropyl)-4-(3-methoxyphenyl)imidazolidin-2-one
CID 116978424
1-(3-amino-2-methylpropyl)-4-(2,4-dimethylphenyl)imidazolidin-2-one
CID 116978705
1-(1-aminopropan-2-yl)-4-(3,4-dimethylphenyl)-3-methylimidazolidin-2-one
CID 116981277
1-(3-amino-2-methylpropyl)-4-(4-fluoro-3-methylphenyl)imidazolidin-2-one
CID 116978704
ethyl (3S,5S)-5-(3-methylphenyl)-2-oxopyrrolidine-3-carboxylate
CID 67205661
1-(1-aminopropan-2-yl)-4-[(E)-2-(3-methylphenyl)ethenyl]pyridin-2-one
CID 82143926

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminopropan-2-yl)-4-(3-methylphenyl)imidazolidin-2-one?
The IUPAC name of 1-(1-aminopropan-2-yl)-4-(3-methylphenyl)imidazolidin-2-one (CID 116978347) is 1-(1-aminopropan-2-yl)-4-(3-methylphenyl)imidazolidin-2-one.
What is the SMILES notation for 1-(1-aminopropan-2-yl)-4-(3-methylphenyl)imidazolidin-2-one?
The canonical SMILES for 1-(1-aminopropan-2-yl)-4-(3-methylphenyl)imidazolidin-2-one is Cc1cccc(C2CN(C(C)CN)C(=O)N2)c1.
What is the InChIKey of 1-(1-aminopropan-2-yl)-4-(3-methylphenyl)imidazolidin-2-one?
The InChIKey is ZMBKOUFYOHLMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9-4-3-5-11(6-9)12-8-16(10(2)7-14)13(17)15-12/h3-6,10,12H,7-8,14H2,1-2H3,(H,15,17).
What are the key properties of 1-(1-aminopropan-2-yl)-4-(3-methylphenyl)imidazolidin-2-one?
1-(1-aminopropan-2-yl)-4-(3-methylphenyl)imidazolidin-2-one has a molecular weight of 233.31 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminopropan-2-yl)-4-(3-methylphenyl)imidazolidin-2-one is sourced from PubChem (CID 116978347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).