4-(2,4-dimethoxyphenyl)-5-iminoimidazolidin-2-one

C11H13N3O3 — CID 138388367

IUPAC4-(2,4-dimethoxyphenyl)-5-iminoimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)NC1c1ccc(OC)cc1OC
InChIInChI=1S/C11H13N3O3/c1-16-6-3-4-7(8(5-6)17-2)9-10(12)14-11(15)13-9/h3-5,9H,1-2H3,(H3,12,13,14,15)
InChIKeyUVDZCEXXZBEQAG-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.03
Rot. Bonds3

About 4-(2,4-dimethoxyphenyl)-5-iminoimidazolidin-2-one

4-(2,4-dimethoxyphenyl)-5-iminoimidazolidin-2-one (PubChem CID 138388367) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 4-(2,4-dimethoxyphenyl)-5-iminoimidazolidin-2-one.

Molecular Properties

Compound Name4-(2,4-dimethoxyphenyl)-5-iminoimidazolidin-2-one
PubChem CID138388367
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name4-(2,4-dimethoxyphenyl)-5-iminoimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)NC1c1ccc(OC)cc1OC
InChIInChI=1S/C11H13N3O3/c1-16-6-3-4-7(8(5-6)17-2)9-10(12)14-11(15)13-9/h3-5,9H,1-2H3,(H3,12,13,14,15)
InChIKeyUVDZCEXXZBEQAG-UHFFFAOYSA-N
XLogP1.03
TPSA83.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-imino-5-(6-methoxynaphthalen-2-yl)imidazolidin-2-one
CID 138388376
4-(5-bromo-2-methoxyphenyl)-5-iminoimidazolidin-2-one
CID 138389204
5-(2,4-dimethoxyphenyl)-1-ethyl-4-iminoimidazolidin-2-one
CID 138389446
4-(3-chloro-4-methoxyphenyl)-5-iminoimidazolidin-2-one
CID 138389292
ethyl 4-(2,4-dimethoxyphenyl)-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2860304
ethyl (4R)-4-(2,4-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 675136
4-(2-bromo-4-methylphenyl)-5-iminoimidazolidin-2-one
CID 138391344
(4R)-5-(4-chlorobenzoyl)-4-(2,4-dimethoxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 7859917
butyl (4R)-4-(2,4-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7451999
benzyl (4R)-4-(2,4-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 1101054
(4S)-4-(2,4-dimethoxyphenyl)-N-(2,3-dimethylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 7157518
(4S)-4-(2,4-dimethoxyphenyl)-N-(2,4-dimethylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1158692

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethoxyphenyl)-5-iminoimidazolidin-2-one?
The IUPAC name of 4-(2,4-dimethoxyphenyl)-5-iminoimidazolidin-2-one (CID 138388367) is 4-(2,4-dimethoxyphenyl)-5-iminoimidazolidin-2-one.
What is the SMILES notation for 4-(2,4-dimethoxyphenyl)-5-iminoimidazolidin-2-one?
The canonical SMILES for 4-(2,4-dimethoxyphenyl)-5-iminoimidazolidin-2-one is [H]/N=C1\NC(=O)NC1c1ccc(OC)cc1OC.
What is the InChIKey of 4-(2,4-dimethoxyphenyl)-5-iminoimidazolidin-2-one?
The InChIKey is UVDZCEXXZBEQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-16-6-3-4-7(8(5-6)17-2)9-10(12)14-11(15)13-9/h3-5,9H,1-2H3,(H3,12,13,14,15).
What are the key properties of 4-(2,4-dimethoxyphenyl)-5-iminoimidazolidin-2-one?
4-(2,4-dimethoxyphenyl)-5-iminoimidazolidin-2-one has a molecular weight of 235.24 g/mol, XLogP of 1.03, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethoxyphenyl)-5-iminoimidazolidin-2-one is sourced from PubChem (CID 138388367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).