1-cyclopropyl-3-[2-(dimethylamino)-2-phenylethyl]imidazolidine-2,4-dione

C16H21N3O2 — CID 102561143

IUPAC1-cyclopropyl-3-[2-(dimethylamino)-2-phenylethyl]imidazolidine-2,4-dione
SMILESCN(C)C(CN1C(=O)CN(C2CC2)C1=O)c1ccccc1
InChIInChI=1S/C16H21N3O2/c1-17(2)14(12-6-4-3-5-7-12)10-19-15(20)11-18(16(19)21)13-8-9-13/h3-7,13-14H,8-11H2,1-2H3
InChIKeyRDFMUMSULMADNJ-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.72
Rot. Bonds5

About 1-cyclopropyl-3-[2-(dimethylamino)-2-phenylethyl]imidazolidine-2,4-dione

1-cyclopropyl-3-[2-(dimethylamino)-2-phenylethyl]imidazolidine-2,4-dione (PubChem CID 102561143) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-cyclopropyl-3-[2-(dimethylamino)-2-phenylethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-cyclopropyl-3-[2-(dimethylamino)-2-phenylethyl]imidazolidine-2,4-dione
PubChem CID102561143
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-cyclopropyl-3-[2-(dimethylamino)-2-phenylethyl]imidazolidine-2,4-dione
SMILESCN(C)C(CN1C(=O)CN(C2CC2)C1=O)c1ccccc1
InChIInChI=1S/C16H21N3O2/c1-17(2)14(12-6-4-3-5-7-12)10-19-15(20)11-18(16(19)21)13-8-9-13/h3-7,13-14H,8-11H2,1-2H3
InChIKeyRDFMUMSULMADNJ-UHFFFAOYSA-N
XLogP1.72
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.72
H-Bond Donors ≤ 50
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 1-cyclopropyl-3-[2-(dimethylamino)-2-phenylethyl]imidazolidine-2,4-dione?
The IUPAC name of 1-cyclopropyl-3-[2-(dimethylamino)-2-phenylethyl]imidazolidine-2,4-dione (CID 102561143) is 1-cyclopropyl-3-[2-(dimethylamino)-2-phenylethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-cyclopropyl-3-[2-(dimethylamino)-2-phenylethyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-cyclopropyl-3-[2-(dimethylamino)-2-phenylethyl]imidazolidine-2,4-dione is CN(C)C(CN1C(=O)CN(C2CC2)C1=O)c1ccccc1.
What is the InChIKey of 1-cyclopropyl-3-[2-(dimethylamino)-2-phenylethyl]imidazolidine-2,4-dione?
The InChIKey is RDFMUMSULMADNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-17(2)14(12-6-4-3-5-7-12)10-19-15(20)11-18(16(19)21)13-8-9-13/h3-7,13-14H,8-11H2,1-2H3.
What are the key properties of 1-cyclopropyl-3-[2-(dimethylamino)-2-phenylethyl]imidazolidine-2,4-dione?
1-cyclopropyl-3-[2-(dimethylamino)-2-phenylethyl]imidazolidine-2,4-dione has a molecular weight of 287.36 g/mol, XLogP of 1.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[2-(dimethylamino)-2-phenylethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 102561143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).