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

C16H23N3O — CID 154758188

IUPAC1-[2-(5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]imidazolidin-2-one
SMILESCC1CCCN(CCN2CCNC2=O)c2ccccc21
InChIInChI=1S/C16H23N3O/c1-13-5-4-9-18(15-7-3-2-6-14(13)15)11-12-19-10-8-17-16(19)20/h2-3,6-7,13H,4-5,8-12H2,1H3,(H,17,20)
InChIKeyYGKSDXSCINOCEB-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.42
Rot. Bonds3

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

1-[2-(5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]imidazolidin-2-one (PubChem CID 154758188) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-[2-(5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]imidazolidin-2-one
PubChem CID154758188
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-[2-(5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]imidazolidin-2-one
SMILESCC1CCCN(CCN2CCNC2=O)c2ccccc21
InChIInChI=1S/C16H23N3O/c1-13-5-4-9-18(15-7-3-2-6-14(13)15)11-12-19-10-8-17-16(19)20/h2-3,6-7,13H,4-5,8-12H2,1H3,(H,17,20)
InChIKeyYGKSDXSCINOCEB-UHFFFAOYSA-N
XLogP2.42
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-(5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]imidazolidin-2-one (CID 154758188) is 1-[2-(5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-(5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-(5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]imidazolidin-2-one is CC1CCCN(CCN2CCNC2=O)c2ccccc21.
What is the InChIKey of 1-[2-(5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]imidazolidin-2-one?
The InChIKey is YGKSDXSCINOCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-13-5-4-9-18(15-7-3-2-6-14(13)15)11-12-19-10-8-17-16(19)20/h2-3,6-7,13H,4-5,8-12H2,1H3,(H,17,20).
What are the key properties of 1-[2-(5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]imidazolidin-2-one?
1-[2-(5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]imidazolidin-2-one has a molecular weight of 273.38 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]imidazolidin-2-one is sourced from PubChem (CID 154758188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).