5-(4-chloro-2-methylphenyl)-2-(2-methoxyethylimino)imidazolidin-4-one

C13H16ClN3O2 — CID 136877697

IUPAC5-(4-chloro-2-methylphenyl)-2-(2-methoxyethylimino)imidazolidin-4-one
SMILESCOCC/N=C1\NC(=O)C(c2ccc(Cl)cc2C)N1
InChIInChI=1S/C13H16ClN3O2/c1-8-7-9(14)3-4-10(8)11-12(18)17-13(16-11)15-5-6-19-2/h3-4,7,11H,5-6H2,1-2H3,(H2,15,16,17,18)
InChIKeyCSENDOBNPBPJPR-UHFFFAOYSA-N
MW281.74 g/mol
LogP1.41
Rot. Bonds4

About 5-(4-chloro-2-methylphenyl)-2-(2-methoxyethylimino)imidazolidin-4-one

5-(4-chloro-2-methylphenyl)-2-(2-methoxyethylimino)imidazolidin-4-one (PubChem CID 136877697) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is 5-(4-chloro-2-methylphenyl)-2-(2-methoxyethylimino)imidazolidin-4-one.

Molecular Properties

Compound Name5-(4-chloro-2-methylphenyl)-2-(2-methoxyethylimino)imidazolidin-4-one
PubChem CID136877697
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC Name5-(4-chloro-2-methylphenyl)-2-(2-methoxyethylimino)imidazolidin-4-one
SMILESCOCC/N=C1\NC(=O)C(c2ccc(Cl)cc2C)N1
InChIInChI=1S/C13H16ClN3O2/c1-8-7-9(14)3-4-10(8)11-12(18)17-13(16-11)15-5-6-19-2/h3-4,7,11H,5-6H2,1-2H3,(H2,15,16,17,18)
InChIKeyCSENDOBNPBPJPR-UHFFFAOYSA-N
XLogP1.41
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(4-chloro-2-fluorophenyl)-2-(2-methoxyethylimino)imidazolidin-4-one
CID 137005087
5-(3-chloro-5-fluorophenyl)-2-(2-methoxyethylimino)imidazolidin-4-one
CID 137003541
5-(4-bromo-5-chlorothiophen-2-yl)-2-(2-methoxyethylimino)imidazolidin-4-one
CID 136964624
5-(3-chloro-4-methylphenyl)-2-propyliminoimidazolidin-4-one
CID 136980760
2-ethylimino-5-(2-fluoro-5-methylphenyl)imidazolidin-4-one
CID 136731241
2-methoxyethyl (4S)-4-(3-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7111647
(2R)-2-(4-chloro-2-methylphenyl)azetidine
CID 130665012
(4-chloro-2-methylphenyl) 2-methoxyethyl carbonate
CID 91694190
2-methoxyethyl (4S)-4-(2,4-dimethylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7733634
3-[2-aminoethyl(methyl)amino]-6-chloro-1,3-dihydroindol-2-one
CID 82237705
5-(2-chloro-3,5-difluorophenyl)-N-(2-methoxyethyl)-4H-1,2,4-benzothiadiazin-3-imine
CID 155266419
5-(4-bromo-5-chlorothiophen-2-yl)-2-propyliminoimidazolidin-4-one
CID 136964622

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-methylphenyl)-2-(2-methoxyethylimino)imidazolidin-4-one?
The IUPAC name of 5-(4-chloro-2-methylphenyl)-2-(2-methoxyethylimino)imidazolidin-4-one (CID 136877697) is 5-(4-chloro-2-methylphenyl)-2-(2-methoxyethylimino)imidazolidin-4-one.
What is the SMILES notation for 5-(4-chloro-2-methylphenyl)-2-(2-methoxyethylimino)imidazolidin-4-one?
The canonical SMILES for 5-(4-chloro-2-methylphenyl)-2-(2-methoxyethylimino)imidazolidin-4-one is COCC/N=C1\NC(=O)C(c2ccc(Cl)cc2C)N1.
What is the InChIKey of 5-(4-chloro-2-methylphenyl)-2-(2-methoxyethylimino)imidazolidin-4-one?
The InChIKey is CSENDOBNPBPJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2/c1-8-7-9(14)3-4-10(8)11-12(18)17-13(16-11)15-5-6-19-2/h3-4,7,11H,5-6H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 5-(4-chloro-2-methylphenyl)-2-(2-methoxyethylimino)imidazolidin-4-one?
5-(4-chloro-2-methylphenyl)-2-(2-methoxyethylimino)imidazolidin-4-one has a molecular weight of 281.74 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2-methylphenyl)-2-(2-methoxyethylimino)imidazolidin-4-one is sourced from PubChem (CID 136877697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).