3-(3-chlorophenyl)-1-cyclopropylimidazolidine-2,4-dione

C12H11ClN2O2 — CID 54924311

IUPAC3-(3-chlorophenyl)-1-cyclopropylimidazolidine-2,4-dione
SMILESO=C1CN(C2CC2)C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C12H11ClN2O2/c13-8-2-1-3-10(6-8)15-11(16)7-14(12(15)17)9-4-5-9/h1-3,6,9H,4-5,7H2
InChIKeyNEWHFROCMWYKNP-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.27
Rot. Bonds2

About 3-(3-chlorophenyl)-1-cyclopropylimidazolidine-2,4-dione

3-(3-chlorophenyl)-1-cyclopropylimidazolidine-2,4-dione (PubChem CID 54924311) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1-cyclopropylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1-cyclopropylimidazolidine-2,4-dione
PubChem CID54924311
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC Name3-(3-chlorophenyl)-1-cyclopropylimidazolidine-2,4-dione
SMILESO=C1CN(C2CC2)C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C12H11ClN2O2/c13-8-2-1-3-10(6-8)15-11(16)7-14(12(15)17)9-4-5-9/h1-3,6,9H,4-5,7H2
InChIKeyNEWHFROCMWYKNP-UHFFFAOYSA-N
XLogP2.27
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 52.27
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-chlorophenyl)-1-cyclopropylimidazolidine-2,4-dione?
The IUPAC name of 3-(3-chlorophenyl)-1-cyclopropylimidazolidine-2,4-dione (CID 54924311) is 3-(3-chlorophenyl)-1-cyclopropylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(3-chlorophenyl)-1-cyclopropylimidazolidine-2,4-dione?
The canonical SMILES for 3-(3-chlorophenyl)-1-cyclopropylimidazolidine-2,4-dione is O=C1CN(C2CC2)C(=O)N1c1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-1-cyclopropylimidazolidine-2,4-dione?
The InChIKey is NEWHFROCMWYKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c13-8-2-1-3-10(6-8)15-11(16)7-14(12(15)17)9-4-5-9/h1-3,6,9H,4-5,7H2.
What are the key properties of 3-(3-chlorophenyl)-1-cyclopropylimidazolidine-2,4-dione?
3-(3-chlorophenyl)-1-cyclopropylimidazolidine-2,4-dione has a molecular weight of 250.69 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-1-cyclopropylimidazolidine-2,4-dione is sourced from PubChem (CID 54924311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).