3-(3,4-dichlorophenyl)-5-methylimidazolidine-2,4-dione

C10H8Cl2N2O2 — CID 12900458

IUPAC3-(3,4-dichlorophenyl)-5-methylimidazolidine-2,4-dione
SMILESCC1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O
InChIInChI=1S/C10H8Cl2N2O2/c1-5-9(15)14(10(16)13-5)6-2-3-7(11)8(12)4-6/h2-5H,1H3,(H,13,16)
InChIKeyVRHDIMAHDMRLMM-UHFFFAOYSA-N
MW259.09 g/mol
LogP2.44
Rot. Bonds1

About 3-(3,4-dichlorophenyl)-5-methylimidazolidine-2,4-dione

3-(3,4-dichlorophenyl)-5-methylimidazolidine-2,4-dione (PubChem CID 12900458) has the molecular formula C10H8Cl2N2O2 and a molecular weight of 259.09 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-5-methylimidazolidine-2,4-dione
PubChem CID12900458
Molecular FormulaC10H8Cl2N2O2
Molecular Weight259.09 g/mol
Exact Mass258.00
IUPAC Name3-(3,4-dichlorophenyl)-5-methylimidazolidine-2,4-dione
SMILESCC1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O
InChIInChI=1S/C10H8Cl2N2O2/c1-5-9(15)14(10(16)13-5)6-2-3-7(11)8(12)4-6/h2-5H,1H3,(H,13,16)
InChIKeyVRHDIMAHDMRLMM-UHFFFAOYSA-N
XLogP2.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.09
LogP ≤ 52.44
H-Bond Donors ≤ 51
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-(3,4-dichlorophenyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-(3,4-dichlorophenyl)-5-methylimidazolidine-2,4-dione (CID 12900458) is 3-(3,4-dichlorophenyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-(3,4-dichlorophenyl)-5-methylimidazolidine-2,4-dione is CC1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O.
What is the InChIKey of 3-(3,4-dichlorophenyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is VRHDIMAHDMRLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2O2/c1-5-9(15)14(10(16)13-5)6-2-3-7(11)8(12)4-6/h2-5H,1H3,(H,13,16).
What are the key properties of 3-(3,4-dichlorophenyl)-5-methylimidazolidine-2,4-dione?
3-(3,4-dichlorophenyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 259.09 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 12900458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).