3-[2-(5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]imidazolidine-2,4-dione

C16H21N3O2 — CID 75521538

IUPAC3-[2-(5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]imidazolidine-2,4-dione
SMILESCC1CCCN(CCN2C(=O)CNC2=O)c2ccccc21
InChIInChI=1S/C16H21N3O2/c1-12-5-4-8-18(14-7-3-2-6-13(12)14)9-10-19-15(20)11-17-16(19)21/h2-3,6-7,12H,4-5,8-11H2,1H3,(H,17,21)
InChIKeyDQWKFWKDKYIJIO-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.94
Rot. Bonds3

About 3-[2-(5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]imidazolidine-2,4-dione

3-[2-(5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]imidazolidine-2,4-dione (PubChem CID 75521538) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-[2-(5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]imidazolidine-2,4-dione
PubChem CID75521538
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name3-[2-(5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]imidazolidine-2,4-dione
SMILESCC1CCCN(CCN2C(=O)CNC2=O)c2ccccc21
InChIInChI=1S/C16H21N3O2/c1-12-5-4-8-18(14-7-3-2-6-13(12)14)9-10-19-15(20)11-17-16(19)21/h2-3,6-7,12H,4-5,8-11H2,1H3,(H,17,21)
InChIKeyDQWKFWKDKYIJIO-UHFFFAOYSA-N
XLogP1.94
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.94
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-(5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[2-(5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]imidazolidine-2,4-dione (CID 75521538) is 3-[2-(5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]imidazolidine-2,4-dione is CC1CCCN(CCN2C(=O)CNC2=O)c2ccccc21.
What is the InChIKey of 3-[2-(5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]imidazolidine-2,4-dione?
The InChIKey is DQWKFWKDKYIJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-12-5-4-8-18(14-7-3-2-6-13(12)14)9-10-19-15(20)11-17-16(19)21/h2-3,6-7,12H,4-5,8-11H2,1H3,(H,17,21).
What are the key properties of 3-[2-(5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]imidazolidine-2,4-dione?
3-[2-(5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]imidazolidine-2,4-dione has a molecular weight of 287.36 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 75521538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).