1-(3-aminopropyl)-4-(5-fluoro-2-methoxyphenyl)imidazolidin-2-one

C13H18FN3O2 — CID 116978550

IUPAC1-(3-aminopropyl)-4-(5-fluoro-2-methoxyphenyl)imidazolidin-2-one
SMILESCOc1ccc(F)cc1C1CN(CCCN)C(=O)N1
InChIInChI=1S/C13H18FN3O2/c1-19-12-4-3-9(14)7-10(12)11-8-17(6-2-5-15)13(18)16-11/h3-4,7,11H,2,5-6,8,15H2,1H3,(H,16,18)
InChIKeyGYJCFBPXSWYMFY-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.25
Rot. Bonds5

About 1-(3-aminopropyl)-4-(5-fluoro-2-methoxyphenyl)imidazolidin-2-one

1-(3-aminopropyl)-4-(5-fluoro-2-methoxyphenyl)imidazolidin-2-one (PubChem CID 116978550) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is 1-(3-aminopropyl)-4-(5-fluoro-2-methoxyphenyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(3-aminopropyl)-4-(5-fluoro-2-methoxyphenyl)imidazolidin-2-one
PubChem CID116978550
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC Name1-(3-aminopropyl)-4-(5-fluoro-2-methoxyphenyl)imidazolidin-2-one
SMILESCOc1ccc(F)cc1C1CN(CCCN)C(=O)N1
InChIInChI=1S/C13H18FN3O2/c1-19-12-4-3-9(14)7-10(12)11-8-17(6-2-5-15)13(18)16-11/h3-4,7,11H,2,5-6,8,15H2,1H3,(H,16,18)
InChIKeyGYJCFBPXSWYMFY-UHFFFAOYSA-N
XLogP1.25
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-bromo-2-methoxyphenyl)-1-(3-hydroxypropyl)imidazolidin-2-one
CID 116979431
1-(3-hydroxypropyl)-4-(2-methoxyphenyl)imidazolidin-2-one
CID 116979454
1-(2-aminopropyl)-4-(5-bromo-2-methoxyphenyl)imidazolidin-2-one
CID 116978398
2-[4-(2,5-dimethoxyphenyl)-2-oxoimidazolidin-1-yl]acetonitrile
CID 116980140
(2S)-2-(5-fluoro-2-methoxyphenyl)pyrrolidine
CID 55277653
5-(5-fluoro-2-methoxyphenyl)piperidin-2-one
CID 82127994
2-[4-(3-fluoro-4-methoxyphenyl)-2-oxoimidazolidin-1-yl]acetonitrile
CID 116980141
1-(4-aminobutan-2-yl)-4-(2-methoxyphenyl)imidazolidin-2-one
CID 116978676
4-(2-fluorophenyl)-1-[3-(methylamino)propyl]imidazolidin-2-one
CID 116978623
2-(5-fluoro-2-methoxyphenyl)pyrrolidin-3-one
CID 83834380
(1S)-1-(5-fluoro-2-methoxyphenyl)pentane-1,5-diamine
CID 171224932
[2-(5-fluoro-2-methoxyphenyl)cyclohexyl]methanamine
CID 82782278

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-4-(5-fluoro-2-methoxyphenyl)imidazolidin-2-one?
The IUPAC name of 1-(3-aminopropyl)-4-(5-fluoro-2-methoxyphenyl)imidazolidin-2-one (CID 116978550) is 1-(3-aminopropyl)-4-(5-fluoro-2-methoxyphenyl)imidazolidin-2-one.
What is the SMILES notation for 1-(3-aminopropyl)-4-(5-fluoro-2-methoxyphenyl)imidazolidin-2-one?
The canonical SMILES for 1-(3-aminopropyl)-4-(5-fluoro-2-methoxyphenyl)imidazolidin-2-one is COc1ccc(F)cc1C1CN(CCCN)C(=O)N1.
What is the InChIKey of 1-(3-aminopropyl)-4-(5-fluoro-2-methoxyphenyl)imidazolidin-2-one?
The InChIKey is GYJCFBPXSWYMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2/c1-19-12-4-3-9(14)7-10(12)11-8-17(6-2-5-15)13(18)16-11/h3-4,7,11H,2,5-6,8,15H2,1H3,(H,16,18).
What are the key properties of 1-(3-aminopropyl)-4-(5-fluoro-2-methoxyphenyl)imidazolidin-2-one?
1-(3-aminopropyl)-4-(5-fluoro-2-methoxyphenyl)imidazolidin-2-one has a molecular weight of 267.30 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-4-(5-fluoro-2-methoxyphenyl)imidazolidin-2-one is sourced from PubChem (CID 116978550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).