7-benzyl-2-butyl-9a-methyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]diazepine-1,3-dione

C19H27N3O2 — CID 132937260

IUPAC7-benzyl-2-butyl-9a-methyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]diazepine-1,3-dione
SMILESCCCCN1C(=O)N2CCN(Cc3ccccc3)CCC2(C)C1=O
InChIInChI=1S/C19H27N3O2/c1-3-4-11-21-17(23)19(2)10-12-20(13-14-22(19)18(21)24)15-16-8-6-5-7-9-16/h5-9H,3-4,10-15H2,1-2H3
InChIKeyWPFGMSAZVABPAB-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.72
Rot. Bonds5

About 7-benzyl-2-butyl-9a-methyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]diazepine-1,3-dione

7-benzyl-2-butyl-9a-methyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]diazepine-1,3-dione (PubChem CID 132937260) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 7-benzyl-2-butyl-9a-methyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]diazepine-1,3-dione.

Molecular Properties

Compound Name7-benzyl-2-butyl-9a-methyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]diazepine-1,3-dione
PubChem CID132937260
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name7-benzyl-2-butyl-9a-methyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]diazepine-1,3-dione
SMILESCCCCN1C(=O)N2CCN(Cc3ccccc3)CCC2(C)C1=O
InChIInChI=1S/C19H27N3O2/c1-3-4-11-21-17(23)19(2)10-12-20(13-14-22(19)18(21)24)15-16-8-6-5-7-9-16/h5-9H,3-4,10-15H2,1-2H3
InChIKeyWPFGMSAZVABPAB-UHFFFAOYSA-N
XLogP2.72
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-Methyl-3-(2-oxo-propyl)-1-phenethyl-1,3,8-triaza-spiro[4.5]decan-4-one
CID 44337475
3-Benzyl-2,5-dioxo-4,4-dimethylimidazolidine
CID 4601988
1,3,8-Triazaspiro(4.5)decane-2,4-dione, 8-(phenylmethyl)-
CID 98811
N-benzyl-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-propan-2-ylacetamide
CID 2372376
N-benzyl-N-methyl-2-(2-oxo-1-pyrrolidinyl)acetamide
CID 766514
N-benzyl-2-(2,4-dioxo-1,3-diazaspiro[4.4]non-3-yl)-N-methylacetamide
CID 2105144
Hydantoin, 3-benzyl-5,5-dimethyl-
CID 141912
Tetrahydro-3-(phenylmethyl)-1H,7H-pyrazolo(1,2-a)(1,2,5)triazepine-1,5(2H)-dione
CID 100661
Succinimide, N-((4-benzyl-1-piperazinyl)methyl)-
CID 739118
1-(2-Phenyl-3-propionyl-imidazolidin-1-yl)-propan-1-one
CID 655919
(5S)-5-benzyl-3-[3-[benzyl(methyl)amino]propyl]-1-methylimidazolidine-2,4-dione
CID 44818778
1-Benzyl-3-(dipropylamino)pyrrolidine-2,5-dione
CID 664673

Frequently Asked Questions

What is the IUPAC name of 7-benzyl-2-butyl-9a-methyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]diazepine-1,3-dione?
The IUPAC name of 7-benzyl-2-butyl-9a-methyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]diazepine-1,3-dione (CID 132937260) is 7-benzyl-2-butyl-9a-methyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]diazepine-1,3-dione.
What is the SMILES notation for 7-benzyl-2-butyl-9a-methyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]diazepine-1,3-dione?
The canonical SMILES for 7-benzyl-2-butyl-9a-methyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]diazepine-1,3-dione is CCCCN1C(=O)N2CCN(Cc3ccccc3)CCC2(C)C1=O.
What is the InChIKey of 7-benzyl-2-butyl-9a-methyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]diazepine-1,3-dione?
The InChIKey is WPFGMSAZVABPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-3-4-11-21-17(23)19(2)10-12-20(13-14-22(19)18(21)24)15-16-8-6-5-7-9-16/h5-9H,3-4,10-15H2,1-2H3.
What are the key properties of 7-benzyl-2-butyl-9a-methyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]diazepine-1,3-dione?
7-benzyl-2-butyl-9a-methyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]diazepine-1,3-dione has a molecular weight of 329.44 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-2-butyl-9a-methyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]diazepine-1,3-dione is sourced from PubChem (CID 132937260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).