4-(5-bromo-2-methoxyphenyl)-1-(3-hydroxypropyl)imidazolidin-2-one

C13H17BrN2O3 — CID 116979431

IUPAC4-(5-bromo-2-methoxyphenyl)-1-(3-hydroxypropyl)imidazolidin-2-one
SMILESCOc1ccc(Br)cc1C1CN(CCCO)C(=O)N1
InChIInChI=1S/C13H17BrN2O3/c1-19-12-4-3-9(14)7-10(12)11-8-16(5-2-6-17)13(18)15-11/h3-4,7,11,17H,2,5-6,8H2,1H3,(H,15,18)
InChIKeyCIFJAYMYFVVDBU-UHFFFAOYSA-N
MW329.19 g/mol
LogP1.91
Rot. Bonds5

About 4-(5-bromo-2-methoxyphenyl)-1-(3-hydroxypropyl)imidazolidin-2-one

4-(5-bromo-2-methoxyphenyl)-1-(3-hydroxypropyl)imidazolidin-2-one (PubChem CID 116979431) has the molecular formula C13H17BrN2O3 and a molecular weight of 329.19 g/mol. Its IUPAC name is 4-(5-bromo-2-methoxyphenyl)-1-(3-hydroxypropyl)imidazolidin-2-one.

Molecular Properties

Compound Name4-(5-bromo-2-methoxyphenyl)-1-(3-hydroxypropyl)imidazolidin-2-one
PubChem CID116979431
Molecular FormulaC13H17BrN2O3
Molecular Weight329.19 g/mol
Exact Mass328.04
IUPAC Name4-(5-bromo-2-methoxyphenyl)-1-(3-hydroxypropyl)imidazolidin-2-one
SMILESCOc1ccc(Br)cc1C1CN(CCCO)C(=O)N1
InChIInChI=1S/C13H17BrN2O3/c1-19-12-4-3-9(14)7-10(12)11-8-16(5-2-6-17)13(18)15-11/h3-4,7,11,17H,2,5-6,8H2,1H3,(H,15,18)
InChIKeyCIFJAYMYFVVDBU-UHFFFAOYSA-N
XLogP1.91
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.19
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-hydroxypropyl)-4-(2-methoxyphenyl)imidazolidin-2-one
CID 116979454
1-(2-aminopropyl)-4-(5-bromo-2-methoxyphenyl)imidazolidin-2-one
CID 116978398
1-(3-aminopropyl)-4-(5-fluoro-2-methoxyphenyl)imidazolidin-2-one
CID 116978550
5-(5-bromo-2-methoxyphenyl)pyrrolidin-2-one
CID 82160176
2-(5-bromo-2-methoxyphenyl)aziridine
CID 82473824
2-[4-(2,5-dimethoxyphenyl)-2-oxoimidazolidin-1-yl]acetonitrile
CID 116980140
(2S)-2-(5-bromo-2-methoxyphenyl)azetidine;hydrochloride
CID 171196708
1-(3-hydroxypropyl)-4-(2-methoxyphenyl)-3-methylimidazolidin-2-one
CID 116982000
3-(5-bromo-2-methoxyphenyl)pyrrolidin-2-one
CID 82134395
4-[2-(5-bromo-2-methoxyphenyl)pyrrolidin-1-yl]butanoic acid
CID 119135164
4-(2,3-dichloro-6-hydroxyphenyl)-1-(3-hydroxypropyl)imidazolidin-2-one;ethane
CID 163241122
2-(5-bromo-2-methoxyphenyl)piperazine
CID 82093166

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-methoxyphenyl)-1-(3-hydroxypropyl)imidazolidin-2-one?
The IUPAC name of 4-(5-bromo-2-methoxyphenyl)-1-(3-hydroxypropyl)imidazolidin-2-one (CID 116979431) is 4-(5-bromo-2-methoxyphenyl)-1-(3-hydroxypropyl)imidazolidin-2-one.
What is the SMILES notation for 4-(5-bromo-2-methoxyphenyl)-1-(3-hydroxypropyl)imidazolidin-2-one?
The canonical SMILES for 4-(5-bromo-2-methoxyphenyl)-1-(3-hydroxypropyl)imidazolidin-2-one is COc1ccc(Br)cc1C1CN(CCCO)C(=O)N1.
What is the InChIKey of 4-(5-bromo-2-methoxyphenyl)-1-(3-hydroxypropyl)imidazolidin-2-one?
The InChIKey is CIFJAYMYFVVDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O3/c1-19-12-4-3-9(14)7-10(12)11-8-16(5-2-6-17)13(18)15-11/h3-4,7,11,17H,2,5-6,8H2,1H3,(H,15,18).
What are the key properties of 4-(5-bromo-2-methoxyphenyl)-1-(3-hydroxypropyl)imidazolidin-2-one?
4-(5-bromo-2-methoxyphenyl)-1-(3-hydroxypropyl)imidazolidin-2-one has a molecular weight of 329.19 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-methoxyphenyl)-1-(3-hydroxypropyl)imidazolidin-2-one is sourced from PubChem (CID 116979431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).