1-(2-aminopropyl)-4-(5-bromo-2-methoxyphenyl)imidazolidin-2-one

C13H18BrN3O2 — CID 116978398

IUPAC1-(2-aminopropyl)-4-(5-bromo-2-methoxyphenyl)imidazolidin-2-one
SMILESCOc1ccc(Br)cc1C1CN(CC(C)N)C(=O)N1
InChIInChI=1S/C13H18BrN3O2/c1-8(15)6-17-7-11(16-13(17)18)10-5-9(14)3-4-12(10)19-2/h3-5,8,11H,6-7,15H2,1-2H3,(H,16,18)
InChIKeyXECGADYCBFMRNF-UHFFFAOYSA-N
MW328.21 g/mol
LogP1.87
Rot. Bonds4

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

1-(2-aminopropyl)-4-(5-bromo-2-methoxyphenyl)imidazolidin-2-one (PubChem CID 116978398) has the molecular formula C13H18BrN3O2 and a molecular weight of 328.21 g/mol. Its IUPAC name is 1-(2-aminopropyl)-4-(5-bromo-2-methoxyphenyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(2-aminopropyl)-4-(5-bromo-2-methoxyphenyl)imidazolidin-2-one
PubChem CID116978398
Molecular FormulaC13H18BrN3O2
Molecular Weight328.21 g/mol
Exact Mass327.06
IUPAC Name1-(2-aminopropyl)-4-(5-bromo-2-methoxyphenyl)imidazolidin-2-one
SMILESCOc1ccc(Br)cc1C1CN(CC(C)N)C(=O)N1
InChIInChI=1S/C13H18BrN3O2/c1-8(15)6-17-7-11(16-13(17)18)10-5-9(14)3-4-12(10)19-2/h3-5,8,11H,6-7,15H2,1-2H3,(H,16,18)
InChIKeyXECGADYCBFMRNF-UHFFFAOYSA-N
XLogP1.87
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 51.87
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
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CID 82473824
5-(5-bromo-2-methoxyphenyl)pyrrolidin-2-one
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2-[4-(2,5-dimethoxyphenyl)-2-oxoimidazolidin-1-yl]acetonitrile
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1-(3-aminopropyl)-4-(5-fluoro-2-methoxyphenyl)imidazolidin-2-one
CID 116978550
(2S)-2-(5-bromo-2-methoxyphenyl)azetidine;hydrochloride
CID 171196708
(2R)-4-(5-bromo-2-methoxyphenyl)butan-2-amine
CID 94231283
3-(5-bromo-2-methoxyphenyl)-1-cyclopropylpropan-1-amine
CID 63355272
3-(5-bromo-2-methoxyphenyl)pyrrolidin-2-one
CID 82134395
2-(5-bromo-2-methoxyphenyl)piperazine
CID 82093166
1-(4-aminobutan-2-yl)-4-(2-methoxyphenyl)imidazolidin-2-one
CID 116978676
1-(5-bromo-2-methoxyphenyl)propan-2-amine
CID 43141128

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminopropyl)-4-(5-bromo-2-methoxyphenyl)imidazolidin-2-one?
The IUPAC name of 1-(2-aminopropyl)-4-(5-bromo-2-methoxyphenyl)imidazolidin-2-one (CID 116978398) is 1-(2-aminopropyl)-4-(5-bromo-2-methoxyphenyl)imidazolidin-2-one.
What is the SMILES notation for 1-(2-aminopropyl)-4-(5-bromo-2-methoxyphenyl)imidazolidin-2-one?
The canonical SMILES for 1-(2-aminopropyl)-4-(5-bromo-2-methoxyphenyl)imidazolidin-2-one is COc1ccc(Br)cc1C1CN(CC(C)N)C(=O)N1.
What is the InChIKey of 1-(2-aminopropyl)-4-(5-bromo-2-methoxyphenyl)imidazolidin-2-one?
The InChIKey is XECGADYCBFMRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O2/c1-8(15)6-17-7-11(16-13(17)18)10-5-9(14)3-4-12(10)19-2/h3-5,8,11H,6-7,15H2,1-2H3,(H,16,18).
What are the key properties of 1-(2-aminopropyl)-4-(5-bromo-2-methoxyphenyl)imidazolidin-2-one?
1-(2-aminopropyl)-4-(5-bromo-2-methoxyphenyl)imidazolidin-2-one has a molecular weight of 328.21 g/mol, XLogP of 1.87, 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-(5-bromo-2-methoxyphenyl)imidazolidin-2-one is sourced from PubChem (CID 116978398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).