4-(3-chloro-4-methoxyphenyl)-5-iminoimidazolidin-2-one

C10H10ClN3O2 — CID 138389292

IUPAC4-(3-chloro-4-methoxyphenyl)-5-iminoimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)NC1c1ccc(OC)c(Cl)c1
InChIInChI=1S/C10H10ClN3O2/c1-16-7-3-2-5(4-6(7)11)8-9(12)14-10(15)13-8/h2-4,8H,1H3,(H3,12,13,14,15)
InChIKeyLIUZSSFKGXYEPO-UHFFFAOYSA-N
MW239.66 g/mol
LogP1.68
Rot. Bonds2

About 4-(3-chloro-4-methoxyphenyl)-5-iminoimidazolidin-2-one

4-(3-chloro-4-methoxyphenyl)-5-iminoimidazolidin-2-one (PubChem CID 138389292) has the molecular formula C10H10ClN3O2 and a molecular weight of 239.66 g/mol. Its IUPAC name is 4-(3-chloro-4-methoxyphenyl)-5-iminoimidazolidin-2-one.

Molecular Properties

Compound Name4-(3-chloro-4-methoxyphenyl)-5-iminoimidazolidin-2-one
PubChem CID138389292
Molecular FormulaC10H10ClN3O2
Molecular Weight239.66 g/mol
Exact Mass239.05
IUPAC Name4-(3-chloro-4-methoxyphenyl)-5-iminoimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)NC1c1ccc(OC)c(Cl)c1
InChIInChI=1S/C10H10ClN3O2/c1-16-7-3-2-5(4-6(7)11)8-9(12)14-10(15)13-8/h2-4,8H,1H3,(H3,12,13,14,15)
InChIKeyLIUZSSFKGXYEPO-UHFFFAOYSA-N
XLogP1.68
TPSA74.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.66
LogP ≤ 51.68
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

5-(3-chloro-4-methoxyphenyl)-1-cyclopropyl-4-iminoimidazolidin-2-one
CID 138388845
4-imino-5-(6-methoxynaphthalen-2-yl)imidazolidin-2-one
CID 138388376
4-(5-bromo-2-methoxyphenyl)-5-iminoimidazolidin-2-one
CID 138389204
4-(2,4-dimethoxyphenyl)-5-iminoimidazolidin-2-one
CID 138388367
1-cyclopropyl-5-(3,4-dimethoxyphenyl)-4-iminoimidazolidin-2-one
CID 138388842
N-benzyl-4-(3-chloro-4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 19591128
(4-methoxyphenyl)methyl (4R)-4-(3-chloro-4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7472845
5-(3-cyclopropyl-5-imino-2-oxoimidazolidin-4-yl)-2-methoxybenzonitrile
CID 138388750
[(2R)-oxolan-2-yl]methyl (4R)-4-(3-chloro-4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7443881
[(2R)-oxolan-2-yl]methyl (4S)-4-(3-chloro-4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7443880
5-(3-chloro-4-methoxyphenyl)cyclohexane-1,3-dione
CID 81340530
(5R)-5-(4-hydroxy-3-methoxyphenyl)imidazolidine-2,4-dione
CID 699519

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-methoxyphenyl)-5-iminoimidazolidin-2-one?
The IUPAC name of 4-(3-chloro-4-methoxyphenyl)-5-iminoimidazolidin-2-one (CID 138389292) is 4-(3-chloro-4-methoxyphenyl)-5-iminoimidazolidin-2-one.
What is the SMILES notation for 4-(3-chloro-4-methoxyphenyl)-5-iminoimidazolidin-2-one?
The canonical SMILES for 4-(3-chloro-4-methoxyphenyl)-5-iminoimidazolidin-2-one is [H]/N=C1\NC(=O)NC1c1ccc(OC)c(Cl)c1.
What is the InChIKey of 4-(3-chloro-4-methoxyphenyl)-5-iminoimidazolidin-2-one?
The InChIKey is LIUZSSFKGXYEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O2/c1-16-7-3-2-5(4-6(7)11)8-9(12)14-10(15)13-8/h2-4,8H,1H3,(H3,12,13,14,15).
What are the key properties of 4-(3-chloro-4-methoxyphenyl)-5-iminoimidazolidin-2-one?
4-(3-chloro-4-methoxyphenyl)-5-iminoimidazolidin-2-one has a molecular weight of 239.66 g/mol, XLogP of 1.68, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-methoxyphenyl)-5-iminoimidazolidin-2-one is sourced from PubChem (CID 138389292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).