5-(3-chloro-4-methylphenyl)-2-propyliminoimidazolidin-4-one

C13H16ClN3O — CID 136980760

IUPAC5-(3-chloro-4-methylphenyl)-2-propyliminoimidazolidin-4-one
SMILESCCC/N=C1\NC(=O)C(c2ccc(C)c(Cl)c2)N1
InChIInChI=1S/C13H16ClN3O/c1-3-6-15-13-16-11(12(18)17-13)9-5-4-8(2)10(14)7-9/h4-5,7,11H,3,6H2,1-2H3,(H2,15,16,17,18)
InChIKeyYTRFLINTMBMUJA-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.17
Rot. Bonds3

About 5-(3-chloro-4-methylphenyl)-2-propyliminoimidazolidin-4-one

5-(3-chloro-4-methylphenyl)-2-propyliminoimidazolidin-4-one (PubChem CID 136980760) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is 5-(3-chloro-4-methylphenyl)-2-propyliminoimidazolidin-4-one.

Molecular Properties

Compound Name5-(3-chloro-4-methylphenyl)-2-propyliminoimidazolidin-4-one
PubChem CID136980760
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name5-(3-chloro-4-methylphenyl)-2-propyliminoimidazolidin-4-one
SMILESCCC/N=C1\NC(=O)C(c2ccc(C)c(Cl)c2)N1
InChIInChI=1S/C13H16ClN3O/c1-3-6-15-13-16-11(12(18)17-13)9-5-4-8(2)10(14)7-9/h4-5,7,11H,3,6H2,1-2H3,(H2,15,16,17,18)
InChIKeyYTRFLINTMBMUJA-UHFFFAOYSA-N
XLogP2.17
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(4-bromo-5-chlorothiophen-2-yl)-2-propyliminoimidazolidin-4-one
CID 136964622
5-(3-chloro-5-fluorophenyl)-2-(2-methoxyethylimino)imidazolidin-4-one
CID 137003541
(4R)-4-(3-chloro-4-methylphenyl)imidazolidin-2-one
CID 130642849
(2S)-2-(3-chloro-4-methylphenyl)aziridine
CID 55263390
5-(3-bromo-4-methylphenyl)imidazolidine-2,4-dione
CID 105401742
5-amino-6-(3-chloro-4-methylphenyl)piperidin-2-one
CID 106818871
4-(3-chloro-4-methylphenyl)-1,3-oxazolidin-2-one
CID 106819070
5-(4-chloro-2-fluorophenyl)-2-(2-methoxyethylimino)imidazolidin-4-one
CID 137005087
(2R)-2-(3-chloro-4-methylphenyl)azetidine;hydrochloride
CID 171197250
2-ethylimino-5-(2-fluoro-5-methylphenyl)imidazolidin-4-one
CID 136731241
5-(3-bromo-4-methylphenyl)-2-sulfanylideneimidazolidin-4-one
CID 105404308
N-[[2-(3-chloro-4-methylphenyl)cyclobutyl]methyl]propan-1-amine
CID 107561131

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-methylphenyl)-2-propyliminoimidazolidin-4-one?
The IUPAC name of 5-(3-chloro-4-methylphenyl)-2-propyliminoimidazolidin-4-one (CID 136980760) is 5-(3-chloro-4-methylphenyl)-2-propyliminoimidazolidin-4-one.
What is the SMILES notation for 5-(3-chloro-4-methylphenyl)-2-propyliminoimidazolidin-4-one?
The canonical SMILES for 5-(3-chloro-4-methylphenyl)-2-propyliminoimidazolidin-4-one is CCC/N=C1\NC(=O)C(c2ccc(C)c(Cl)c2)N1.
What is the InChIKey of 5-(3-chloro-4-methylphenyl)-2-propyliminoimidazolidin-4-one?
The InChIKey is YTRFLINTMBMUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-3-6-15-13-16-11(12(18)17-13)9-5-4-8(2)10(14)7-9/h4-5,7,11H,3,6H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 5-(3-chloro-4-methylphenyl)-2-propyliminoimidazolidin-4-one?
5-(3-chloro-4-methylphenyl)-2-propyliminoimidazolidin-4-one has a molecular weight of 265.74 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-methylphenyl)-2-propyliminoimidazolidin-4-one is sourced from PubChem (CID 136980760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).