4-(5-bromo-2-methoxyphenyl)-5-iminoimidazolidin-2-one

C10H10BrN3O2 — CID 138389204

IUPAC4-(5-bromo-2-methoxyphenyl)-5-iminoimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)NC1c1cc(Br)ccc1OC
InChIInChI=1S/C10H10BrN3O2/c1-16-7-3-2-5(11)4-6(7)8-9(12)14-10(15)13-8/h2-4,8H,1H3,(H3,12,13,14,15)
InChIKeyHWUSBLUSFVUYJX-UHFFFAOYSA-N
MW284.11 g/mol
LogP1.79
Rot. Bonds2

About 4-(5-bromo-2-methoxyphenyl)-5-iminoimidazolidin-2-one

4-(5-bromo-2-methoxyphenyl)-5-iminoimidazolidin-2-one (PubChem CID 138389204) has the molecular formula C10H10BrN3O2 and a molecular weight of 284.11 g/mol. Its IUPAC name is 4-(5-bromo-2-methoxyphenyl)-5-iminoimidazolidin-2-one.

Molecular Properties

Compound Name4-(5-bromo-2-methoxyphenyl)-5-iminoimidazolidin-2-one
PubChem CID138389204
Molecular FormulaC10H10BrN3O2
Molecular Weight284.11 g/mol
Exact Mass283.00
IUPAC Name4-(5-bromo-2-methoxyphenyl)-5-iminoimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)NC1c1cc(Br)ccc1OC
InChIInChI=1S/C10H10BrN3O2/c1-16-7-3-2-5(11)4-6(7)8-9(12)14-10(15)13-8/h2-4,8H,1H3,(H3,12,13,14,15)
InChIKeyHWUSBLUSFVUYJX-UHFFFAOYSA-N
XLogP1.79
TPSA74.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.11
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-(2,4-dimethoxyphenyl)-5-iminoimidazolidin-2-one
CID 138388367
4-(3-chloro-4-methoxyphenyl)-5-iminoimidazolidin-2-one
CID 138389292
methyl 4-(5-bromo-2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2906910
ethyl (4R)-4-(5-bromo-2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 1068410
4-(2-bromo-4-methylphenyl)-5-iminoimidazolidin-2-one
CID 138391344
4-(5-bromo-2-methoxyphenyl)-N-(4-bromophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 3348205
propan-2-yl (4S)-4-(5-bromo-2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 1039619
5-(5-bromo-2-methoxyphenyl)pyrrolidin-2-one
CID 82160176
(2S)-2-(5-bromo-2-methoxyphenyl)azetidine;hydrochloride
CID 171196708
3-(5-bromo-2-methoxyphenyl)pyrrolidin-2-one
CID 82134395
4-imino-5-(6-methoxynaphthalen-2-yl)imidazolidin-2-one
CID 138388376
benzyl 4-(5-bromo-2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110844560

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-methoxyphenyl)-5-iminoimidazolidin-2-one?
The IUPAC name of 4-(5-bromo-2-methoxyphenyl)-5-iminoimidazolidin-2-one (CID 138389204) is 4-(5-bromo-2-methoxyphenyl)-5-iminoimidazolidin-2-one.
What is the SMILES notation for 4-(5-bromo-2-methoxyphenyl)-5-iminoimidazolidin-2-one?
The canonical SMILES for 4-(5-bromo-2-methoxyphenyl)-5-iminoimidazolidin-2-one is [H]/N=C1\NC(=O)NC1c1cc(Br)ccc1OC.
What is the InChIKey of 4-(5-bromo-2-methoxyphenyl)-5-iminoimidazolidin-2-one?
The InChIKey is HWUSBLUSFVUYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O2/c1-16-7-3-2-5(11)4-6(7)8-9(12)14-10(15)13-8/h2-4,8H,1H3,(H3,12,13,14,15).
What are the key properties of 4-(5-bromo-2-methoxyphenyl)-5-iminoimidazolidin-2-one?
4-(5-bromo-2-methoxyphenyl)-5-iminoimidazolidin-2-one has a molecular weight of 284.11 g/mol, XLogP of 1.79, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-methoxyphenyl)-5-iminoimidazolidin-2-one is sourced from PubChem (CID 138389204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).