8-(furan-2-carbonyl)-6,6-dimethyl-2-(2-methylpropyl)-5,7,9,9a-tetrahydroimidazo[1,5-a][1,4]diazepine-1,3-dione

C18H25N3O4 — CID 146068882

IUPAC8-(furan-2-carbonyl)-6,6-dimethyl-2-(2-methylpropyl)-5,7,9,9a-tetrahydroimidazo[1,5-a][1,4]diazepine-1,3-dione
SMILESCC(C)CN1C(=O)C2CN(C(=O)c3ccco3)CC(C)(C)CN2C1=O
InChIInChI=1S/C18H25N3O4/c1-12(2)8-20-15(22)13-9-19(16(23)14-6-5-7-25-14)10-18(3,4)11-21(13)17(20)24/h5-7,12-13H,8-11H2,1-4H3
InChIKeyVAXUEKHBSMFYAR-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.05
Rot. Bonds3

About 8-(furan-2-carbonyl)-6,6-dimethyl-2-(2-methylpropyl)-5,7,9,9a-tetrahydroimidazo[1,5-a][1,4]diazepine-1,3-dione

8-(furan-2-carbonyl)-6,6-dimethyl-2-(2-methylpropyl)-5,7,9,9a-tetrahydroimidazo[1,5-a][1,4]diazepine-1,3-dione (PubChem CID 146068882) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is 8-(furan-2-carbonyl)-6,6-dimethyl-2-(2-methylpropyl)-5,7,9,9a-tetrahydroimidazo[1,5-a][1,4]diazepine-1,3-dione.

Molecular Properties

Compound Name8-(furan-2-carbonyl)-6,6-dimethyl-2-(2-methylpropyl)-5,7,9,9a-tetrahydroimidazo[1,5-a][1,4]diazepine-1,3-dione
PubChem CID146068882
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name8-(furan-2-carbonyl)-6,6-dimethyl-2-(2-methylpropyl)-5,7,9,9a-tetrahydroimidazo[1,5-a][1,4]diazepine-1,3-dione
SMILESCC(C)CN1C(=O)C2CN(C(=O)c3ccco3)CC(C)(C)CN2C1=O
InChIInChI=1S/C18H25N3O4/c1-12(2)8-20-15(22)13-9-19(16(23)14-6-5-7-25-14)10-18(3,4)11-21(13)17(20)24/h5-7,12-13H,8-11H2,1-4H3
InChIKeyVAXUEKHBSMFYAR-UHFFFAOYSA-N
XLogP2.05
TPSA74.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8-(furan-2-carbonyl)-6,6-dimethyl-2-(2-methylpropyl)-5,7,9,9a-tetrahydroimidazo[1,5-a][1,4]diazepine-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6,6-dimethyl-2-(2-methylpropyl)-8-(2-pyridin-4-ylacetyl)-5,7,9,9a-tetrahydroimidazo[1,5-a][1,4]diazepine-1,3-dione
CID 146068911
8-(1H-indole-4-carbonyl)-6,6-dimethyl-2-(2-methylpropyl)-5,7,9,9a-tetrahydroimidazo[1,5-a][1,4]diazepine-1,3-dione
CID 146068919
furan-2-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 21026314
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 78789973
4-(furan-2-carbonyl)-N'-methyl-N-(3-methylbutyl)piperazine-1-carboximidamide
CID 111168423
furan-2-yl-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone
CID 121185227
5-[4-(furan-2-carbonyl)-1,4-diazepane-1-carbonyl]-2-(2-methylpropyl)isoindole-1,3-dione
CID 108544705
furan-2-yl-(4-pentan-2-ylpiperazin-1-yl)methanone
CID 156542085
9-(furan-2-carbonyl)-1-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97495819
2-[1-(furan-2-carbonyl)azetidin-3-yl]acetic acid
CID 64605217
furan-2-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 115686874
furan-2-yl-[3-(2-methylpropyl)piperazin-1-yl]methanone
CID 82243423

Frequently Asked Questions

What is the IUPAC name of 8-(furan-2-carbonyl)-6,6-dimethyl-2-(2-methylpropyl)-5,7,9,9a-tetrahydroimidazo[1,5-a][1,4]diazepine-1,3-dione?
The IUPAC name of 8-(furan-2-carbonyl)-6,6-dimethyl-2-(2-methylpropyl)-5,7,9,9a-tetrahydroimidazo[1,5-a][1,4]diazepine-1,3-dione (CID 146068882) is 8-(furan-2-carbonyl)-6,6-dimethyl-2-(2-methylpropyl)-5,7,9,9a-tetrahydroimidazo[1,5-a][1,4]diazepine-1,3-dione.
What is the SMILES notation for 8-(furan-2-carbonyl)-6,6-dimethyl-2-(2-methylpropyl)-5,7,9,9a-tetrahydroimidazo[1,5-a][1,4]diazepine-1,3-dione?
The canonical SMILES for 8-(furan-2-carbonyl)-6,6-dimethyl-2-(2-methylpropyl)-5,7,9,9a-tetrahydroimidazo[1,5-a][1,4]diazepine-1,3-dione is CC(C)CN1C(=O)C2CN(C(=O)c3ccco3)CC(C)(C)CN2C1=O.
What is the InChIKey of 8-(furan-2-carbonyl)-6,6-dimethyl-2-(2-methylpropyl)-5,7,9,9a-tetrahydroimidazo[1,5-a][1,4]diazepine-1,3-dione?
The InChIKey is VAXUEKHBSMFYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-12(2)8-20-15(22)13-9-19(16(23)14-6-5-7-25-14)10-18(3,4)11-21(13)17(20)24/h5-7,12-13H,8-11H2,1-4H3.
What are the key properties of 8-(furan-2-carbonyl)-6,6-dimethyl-2-(2-methylpropyl)-5,7,9,9a-tetrahydroimidazo[1,5-a][1,4]diazepine-1,3-dione?
8-(furan-2-carbonyl)-6,6-dimethyl-2-(2-methylpropyl)-5,7,9,9a-tetrahydroimidazo[1,5-a][1,4]diazepine-1,3-dione has a molecular weight of 347.42 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(furan-2-carbonyl)-6,6-dimethyl-2-(2-methylpropyl)-5,7,9,9a-tetrahydroimidazo[1,5-a][1,4]diazepine-1,3-dione is sourced from PubChem (CID 146068882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).