1-(2-aminopropyl)-4-(3-methoxyphenyl)imidazolidin-2-one

C13H19N3O2 — CID 116978424

IUPAC1-(2-aminopropyl)-4-(3-methoxyphenyl)imidazolidin-2-one
SMILESCOc1cccc(C2CN(CC(C)N)C(=O)N2)c1
InChIInChI=1S/C13H19N3O2/c1-9(14)7-16-8-12(15-13(16)17)10-4-3-5-11(6-10)18-2/h3-6,9,12H,7-8,14H2,1-2H3,(H,15,17)
InChIKeyDJOAAOWSORVMFS-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.11
Rot. Bonds4

About 1-(2-aminopropyl)-4-(3-methoxyphenyl)imidazolidin-2-one

1-(2-aminopropyl)-4-(3-methoxyphenyl)imidazolidin-2-one (PubChem CID 116978424) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-(2-aminopropyl)-4-(3-methoxyphenyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(2-aminopropyl)-4-(3-methoxyphenyl)imidazolidin-2-one
PubChem CID116978424
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name1-(2-aminopropyl)-4-(3-methoxyphenyl)imidazolidin-2-one
SMILESCOc1cccc(C2CN(CC(C)N)C(=O)N2)c1
InChIInChI=1S/C13H19N3O2/c1-9(14)7-16-8-12(15-13(16)17)10-4-3-5-11(6-10)18-2/h3-6,9,12H,7-8,14H2,1-2H3,(H,15,17)
InChIKeyDJOAAOWSORVMFS-UHFFFAOYSA-N
XLogP1.11
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methoxyphenyl)-1-(2-oxopropyl)imidazolidin-2-one
CID 116980510
4-(3-methoxyphenyl)-1-[3-(methylamino)propyl]imidazolidin-2-one
CID 116978630
4-(3-methoxyphenyl)-1-pyrrolidin-3-ylimidazolidin-2-one
CID 116978989
1-(2-aminopropyl)-4-thiophen-2-ylimidazolidin-2-one
CID 116978375
6-(3-methoxyphenyl)piperidine-2,4-dione
CID 83822055
7-(3-methoxyphenyl)azepan-2-one
CID 12665502
(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-2-amine
CID 28599641
(2R,5S)-2-(3-methoxyphenyl)-5-methylpiperidine
CID 169114751
3-(3-methoxyphenyl)-1-propan-2-ylazetidine
CID 166469184
(1R)-1-[(1R,2R)-2-(3-methoxyphenyl)cyclopropyl]ethanamine
CID 28912399
5-amino-6-(3-methoxyphenyl)-1-(3-methylbutyl)piperidin-2-one
CID 82193447
(2S,4S)-2-(3-methoxyphenyl)-4-methylpyrrolidine
CID 82403223

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminopropyl)-4-(3-methoxyphenyl)imidazolidin-2-one?
The IUPAC name of 1-(2-aminopropyl)-4-(3-methoxyphenyl)imidazolidin-2-one (CID 116978424) is 1-(2-aminopropyl)-4-(3-methoxyphenyl)imidazolidin-2-one.
What is the SMILES notation for 1-(2-aminopropyl)-4-(3-methoxyphenyl)imidazolidin-2-one?
The canonical SMILES for 1-(2-aminopropyl)-4-(3-methoxyphenyl)imidazolidin-2-one is COc1cccc(C2CN(CC(C)N)C(=O)N2)c1.
What is the InChIKey of 1-(2-aminopropyl)-4-(3-methoxyphenyl)imidazolidin-2-one?
The InChIKey is DJOAAOWSORVMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9(14)7-16-8-12(15-13(16)17)10-4-3-5-11(6-10)18-2/h3-6,9,12H,7-8,14H2,1-2H3,(H,15,17).
What are the key properties of 1-(2-aminopropyl)-4-(3-methoxyphenyl)imidazolidin-2-one?
1-(2-aminopropyl)-4-(3-methoxyphenyl)imidazolidin-2-one has a molecular weight of 249.31 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminopropyl)-4-(3-methoxyphenyl)imidazolidin-2-one is sourced from PubChem (CID 116978424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).