3-[3-(5-hydroxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione

C18H25N3O3 — CID 154752100

IUPAC3-[3-(5-hydroxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCCN2CCC(O)c3ccccc3C2)C1=O
InChIInChI=1S/C18H25N3O3/c1-18(2)16(23)21(17(24)19-18)10-5-9-20-11-8-15(22)14-7-4-3-6-13(14)12-20/h3-4,6-7,15,22H,5,8-12H2,1-2H3,(H,19,24)
InChIKeyIFMWGUGWIHVHSK-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.65
Rot. Bonds4

About 3-[3-(5-hydroxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione

3-[3-(5-hydroxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 154752100) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 3-[3-(5-hydroxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[3-(5-hydroxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID154752100
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name3-[3-(5-hydroxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCCN2CCC(O)c3ccccc3C2)C1=O
InChIInChI=1S/C18H25N3O3/c1-18(2)16(23)21(17(24)19-18)10-5-9-20-11-8-15(22)14-7-4-3-6-13(14)12-20/h3-4,6-7,15,22H,5,8-12H2,1-2H3,(H,19,24)
InChIKeyIFMWGUGWIHVHSK-UHFFFAOYSA-N
XLogP1.65
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

5,5-dimethyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione
CID 56811818
3-[3-(2,2-dimethylmorpholin-4-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione
CID 87016720
5,5-dimethyl-3-[3-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]propyl]imidazolidine-2,4-dione
CID 97314106
5,5-dimethyl-3-[3-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propyl]imidazolidine-2,4-dione
CID 95575935
3-[2-(4-aminopiperidin-1-yl)ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 43556669
5,5-dimethyl-3-[2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethyl]imidazolidine-2,4-dione
CID 119921166
3-[3-[2-(3-bromophenyl)pyrrolidin-1-yl]propyl]-5,5-dimethylimidazolidine-2,4-dione
CID 47057220
3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 71930590
5,5-dimethyl-3-[2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethyl]imidazolidine-2,4-dione;hydrochloride
CID 119921165
ethyl 4-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl]piperazine-1-carboxylate
CID 47029520
3-[3-[2-(3-fluorophenyl)pyrrolidin-1-yl]propyl]-5,5-dimethylimidazolidine-2,4-dione
CID 47058227
5,5-dimethyl-3-[2-[3-(methylamino)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione;hydrochloride
CID 119905680

Frequently Asked Questions

What is the IUPAC name of 3-[3-(5-hydroxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[3-(5-hydroxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione (CID 154752100) is 3-[3-(5-hydroxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[3-(5-hydroxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[3-(5-hydroxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)NC(=O)N(CCCN2CCC(O)c3ccccc3C2)C1=O.
What is the InChIKey of 3-[3-(5-hydroxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is IFMWGUGWIHVHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-18(2)16(23)21(17(24)19-18)10-5-9-20-11-8-15(22)14-7-4-3-6-13(14)12-20/h3-4,6-7,15,22H,5,8-12H2,1-2H3,(H,19,24).
What are the key properties of 3-[3-(5-hydroxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[3-(5-hydroxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 331.42 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(5-hydroxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 154752100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).