3-(3-chloro-4-methylphenyl)-1-cyclopentylimidazolidine-2,4-dione

C15H17ClN2O2 — CID 60837303

IUPAC3-(3-chloro-4-methylphenyl)-1-cyclopentylimidazolidine-2,4-dione
SMILESCc1ccc(N2C(=O)CN(C3CCCC3)C2=O)cc1Cl
InChIInChI=1S/C15H17ClN2O2/c1-10-6-7-12(8-13(10)16)18-14(19)9-17(15(18)20)11-4-2-3-5-11/h6-8,11H,2-5,9H2,1H3
InChIKeyCVKDXYAFAFDNEI-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.36
Rot. Bonds2

About 3-(3-chloro-4-methylphenyl)-1-cyclopentylimidazolidine-2,4-dione

3-(3-chloro-4-methylphenyl)-1-cyclopentylimidazolidine-2,4-dione (PubChem CID 60837303) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 3-(3-chloro-4-methylphenyl)-1-cyclopentylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(3-chloro-4-methylphenyl)-1-cyclopentylimidazolidine-2,4-dione
PubChem CID60837303
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name3-(3-chloro-4-methylphenyl)-1-cyclopentylimidazolidine-2,4-dione
SMILESCc1ccc(N2C(=O)CN(C3CCCC3)C2=O)cc1Cl
InChIInChI=1S/C15H17ClN2O2/c1-10-6-7-12(8-13(10)16)18-14(19)9-17(15(18)20)11-4-2-3-5-11/h6-8,11H,2-5,9H2,1H3
InChIKeyCVKDXYAFAFDNEI-UHFFFAOYSA-N
XLogP3.36
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methylphenyl)-1-cyclopentylimidazolidine-2,4-dione?
The IUPAC name of 3-(3-chloro-4-methylphenyl)-1-cyclopentylimidazolidine-2,4-dione (CID 60837303) is 3-(3-chloro-4-methylphenyl)-1-cyclopentylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(3-chloro-4-methylphenyl)-1-cyclopentylimidazolidine-2,4-dione?
The canonical SMILES for 3-(3-chloro-4-methylphenyl)-1-cyclopentylimidazolidine-2,4-dione is Cc1ccc(N2C(=O)CN(C3CCCC3)C2=O)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-methylphenyl)-1-cyclopentylimidazolidine-2,4-dione?
The InChIKey is CVKDXYAFAFDNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-10-6-7-12(8-13(10)16)18-14(19)9-17(15(18)20)11-4-2-3-5-11/h6-8,11H,2-5,9H2,1H3.
What are the key properties of 3-(3-chloro-4-methylphenyl)-1-cyclopentylimidazolidine-2,4-dione?
3-(3-chloro-4-methylphenyl)-1-cyclopentylimidazolidine-2,4-dione has a molecular weight of 292.77 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methylphenyl)-1-cyclopentylimidazolidine-2,4-dione is sourced from PubChem (CID 60837303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).