3-[2-[(3-chlorophenyl)methyl-methylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione

C15H20ClN3O2 — CID 35429756

IUPAC3-[2-[(3-chlorophenyl)methyl-methylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCN(CCN1C(=O)NC(C)(C)C1=O)Cc1cccc(Cl)c1
InChIInChI=1S/C15H20ClN3O2/c1-15(2)13(20)19(14(21)17-15)8-7-18(3)10-11-5-4-6-12(16)9-11/h4-6,9H,7-8,10H2,1-3H3,(H,17,21)
InChIKeyKDOTWSJGTPSBQM-UHFFFAOYSA-N
MW309.80 g/mol
LogP2.10
Rot. Bonds5

About 3-[2-[(3-chlorophenyl)methyl-methylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione

3-[2-[(3-chlorophenyl)methyl-methylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 35429756) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is 3-[2-[(3-chlorophenyl)methyl-methylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[(3-chlorophenyl)methyl-methylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID35429756
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name3-[2-[(3-chlorophenyl)methyl-methylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCN(CCN1C(=O)NC(C)(C)C1=O)Cc1cccc(Cl)c1
InChIInChI=1S/C15H20ClN3O2/c1-15(2)13(20)19(14(21)17-15)8-7-18(3)10-11-5-4-6-12(16)9-11/h4-6,9H,7-8,10H2,1-3H3,(H,17,21)
InChIKeyKDOTWSJGTPSBQM-UHFFFAOYSA-N
XLogP2.10
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 52.10
H-Bond Donors ≤ 51
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-[(3-chlorophenyl)methyl-methylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-[(3-chlorophenyl)methyl-methylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione (CID 35429756) is 3-[2-[(3-chlorophenyl)methyl-methylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[(3-chlorophenyl)methyl-methylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[(3-chlorophenyl)methyl-methylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione is CN(CCN1C(=O)NC(C)(C)C1=O)Cc1cccc(Cl)c1.
What is the InChIKey of 3-[2-[(3-chlorophenyl)methyl-methylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is KDOTWSJGTPSBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c1-15(2)13(20)19(14(21)17-15)8-7-18(3)10-11-5-4-6-12(16)9-11/h4-6,9H,7-8,10H2,1-3H3,(H,17,21).
What are the key properties of 3-[2-[(3-chlorophenyl)methyl-methylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[2-[(3-chlorophenyl)methyl-methylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 309.80 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3-chlorophenyl)methyl-methylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 35429756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).