5-(2-aminoethyl)-5-(3,4-dimethylphenyl)-3-methylimidazolidine-2,4-dione

C14H19N3O2 — CID 82302226

IUPAC5-(2-aminoethyl)-5-(3,4-dimethylphenyl)-3-methylimidazolidine-2,4-dione
SMILESCc1ccc(C2(CCN)NC(=O)N(C)C2=O)cc1C
InChIInChI=1S/C14H19N3O2/c1-9-4-5-11(8-10(9)2)14(6-7-15)12(18)17(3)13(19)16-14/h4-5,8H,6-7,15H2,1-3H3,(H,16,19)
InChIKeyOTJKFFHDPXNWCI-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.03
Rot. Bonds3

About 5-(2-aminoethyl)-5-(3,4-dimethylphenyl)-3-methylimidazolidine-2,4-dione

5-(2-aminoethyl)-5-(3,4-dimethylphenyl)-3-methylimidazolidine-2,4-dione (PubChem CID 82302226) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 5-(2-aminoethyl)-5-(3,4-dimethylphenyl)-3-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(2-aminoethyl)-5-(3,4-dimethylphenyl)-3-methylimidazolidine-2,4-dione
PubChem CID82302226
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name5-(2-aminoethyl)-5-(3,4-dimethylphenyl)-3-methylimidazolidine-2,4-dione
SMILESCc1ccc(C2(CCN)NC(=O)N(C)C2=O)cc1C
InChIInChI=1S/C14H19N3O2/c1-9-4-5-11(8-10(9)2)14(6-7-15)12(18)17(3)13(19)16-14/h4-5,8H,6-7,15H2,1-3H3,(H,16,19)
InChIKeyOTJKFFHDPXNWCI-UHFFFAOYSA-N
XLogP1.03
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.03
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 5-(2-aminoethyl)-5-(3,4-dimethylphenyl)-3-methylimidazolidine-2,4-dione?
The IUPAC name of 5-(2-aminoethyl)-5-(3,4-dimethylphenyl)-3-methylimidazolidine-2,4-dione (CID 82302226) is 5-(2-aminoethyl)-5-(3,4-dimethylphenyl)-3-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(2-aminoethyl)-5-(3,4-dimethylphenyl)-3-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-(2-aminoethyl)-5-(3,4-dimethylphenyl)-3-methylimidazolidine-2,4-dione is Cc1ccc(C2(CCN)NC(=O)N(C)C2=O)cc1C.
What is the InChIKey of 5-(2-aminoethyl)-5-(3,4-dimethylphenyl)-3-methylimidazolidine-2,4-dione?
The InChIKey is OTJKFFHDPXNWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-9-4-5-11(8-10(9)2)14(6-7-15)12(18)17(3)13(19)16-14/h4-5,8H,6-7,15H2,1-3H3,(H,16,19).
What are the key properties of 5-(2-aminoethyl)-5-(3,4-dimethylphenyl)-3-methylimidazolidine-2,4-dione?
5-(2-aminoethyl)-5-(3,4-dimethylphenyl)-3-methylimidazolidine-2,4-dione has a molecular weight of 261.32 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-5-(3,4-dimethylphenyl)-3-methylimidazolidine-2,4-dione is sourced from PubChem (CID 82302226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).