3-[(2,5-dichloroanilino)methyl]-5,5-dimethylimidazolidine-2,4-dione

C12H13Cl2N3O2 — CID 646337

IUPAC3-[(2,5-dichloroanilino)methyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CNc2cc(Cl)ccc2Cl)C1=O
InChIInChI=1S/C12H13Cl2N3O2/c1-12(2)10(18)17(11(19)16-12)6-15-9-5-7(13)3-4-8(9)14/h3-5,15H,6H2,1-2H3,(H,16,19)
InChIKeyKAVUUOXITZCINW-UHFFFAOYSA-N
MW302.16 g/mol
LogP2.69
Rot. Bonds3

About 3-[(2,5-dichloroanilino)methyl]-5,5-dimethylimidazolidine-2,4-dione

3-[(2,5-dichloroanilino)methyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 646337) has the molecular formula C12H13Cl2N3O2 and a molecular weight of 302.16 g/mol. Its IUPAC name is 3-[(2,5-dichloroanilino)methyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(2,5-dichloroanilino)methyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID646337
Molecular FormulaC12H13Cl2N3O2
Molecular Weight302.16 g/mol
Exact Mass301.04
IUPAC Name3-[(2,5-dichloroanilino)methyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CNc2cc(Cl)ccc2Cl)C1=O
InChIInChI=1S/C12H13Cl2N3O2/c1-12(2)10(18)17(11(19)16-12)6-15-9-5-7(13)3-4-8(9)14/h3-5,15H,6H2,1-2H3,(H,16,19)
InChIKeyKAVUUOXITZCINW-UHFFFAOYSA-N
XLogP2.69
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.16
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(2,5-dichloroanilino)methyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[(2,5-dichloroanilino)methyl]-5,5-dimethylimidazolidine-2,4-dione (CID 646337) is 3-[(2,5-dichloroanilino)methyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(2,5-dichloroanilino)methyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(2,5-dichloroanilino)methyl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)NC(=O)N(CNc2cc(Cl)ccc2Cl)C1=O.
What is the InChIKey of 3-[(2,5-dichloroanilino)methyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is KAVUUOXITZCINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3O2/c1-12(2)10(18)17(11(19)16-12)6-15-9-5-7(13)3-4-8(9)14/h3-5,15H,6H2,1-2H3,(H,16,19).
What are the key properties of 3-[(2,5-dichloroanilino)methyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[(2,5-dichloroanilino)methyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 302.16 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dichloroanilino)methyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 646337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).