2-benzyl-6,7-dimethyl-8,8a-dihydro-5H-imidazo[1,5-a]pyridine-1,3-dione

C16H18N2O2 — CID 71485093

IUPAC2-benzyl-6,7-dimethyl-8,8a-dihydro-5H-imidazo[1,5-a]pyridine-1,3-dione
SMILESCC1=C(C)CN2C(=O)N(Cc3ccccc3)C(=O)C2C1
InChIInChI=1S/C16H18N2O2/c1-11-8-14-15(19)18(10-13-6-4-3-5-7-13)16(20)17(14)9-12(11)2/h3-7,14H,8-10H2,1-2H3
InChIKeyIBOLCSMAZYSFRC-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.56
Rot. Bonds2

About 2-benzyl-6,7-dimethyl-8,8a-dihydro-5H-imidazo[1,5-a]pyridine-1,3-dione

2-benzyl-6,7-dimethyl-8,8a-dihydro-5H-imidazo[1,5-a]pyridine-1,3-dione (PubChem CID 71485093) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-benzyl-6,7-dimethyl-8,8a-dihydro-5H-imidazo[1,5-a]pyridine-1,3-dione.

Molecular Properties

Compound Name2-benzyl-6,7-dimethyl-8,8a-dihydro-5H-imidazo[1,5-a]pyridine-1,3-dione
PubChem CID71485093
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-benzyl-6,7-dimethyl-8,8a-dihydro-5H-imidazo[1,5-a]pyridine-1,3-dione
SMILESCC1=C(C)CN2C(=O)N(Cc3ccccc3)C(=O)C2C1
InChIInChI=1S/C16H18N2O2/c1-11-8-14-15(19)18(10-13-6-4-3-5-7-13)16(20)17(14)9-12(11)2/h3-7,14H,8-10H2,1-2H3
InChIKeyIBOLCSMAZYSFRC-UHFFFAOYSA-N
XLogP2.56
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(7aR)-6-benzyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
CID 10060569
2-benzyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione
CID 78524206
(1S,5S)-3-benzyl-8-methyl-3,8-diazabicyclo[3.2.1]octane-2,4-dione
CID 98056412
(3S)-1-benzyl-3-[4-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 51620013
3-benzyl-1-cyclopropylimidazolidine-2,4-dione
CID 87022344
7-benzoyl-2-benzyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
CID 78524207
5-benzyl-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-4-one
CID 13342088
(10aR)-2-benzyl-7,8-dimethoxy-3-sulfanylidene-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-1-one
CID 7349876
1-benzyl-3,5-dimethyl-1,3-diazinane-2,4,6-trione
CID 86189185
(3S)-1-benzyl-3-methyl-3,4-dihydroquinolin-2-one
CID 71351349
(6R,7aS)-2,3'-dibenzylspiro[7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole-6,5'-imidazole]-1,3,4'-trione
CID 134864137
3-[(10aS)-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]propanoic acid
CID 7646877

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6,7-dimethyl-8,8a-dihydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
The IUPAC name of 2-benzyl-6,7-dimethyl-8,8a-dihydro-5H-imidazo[1,5-a]pyridine-1,3-dione (CID 71485093) is 2-benzyl-6,7-dimethyl-8,8a-dihydro-5H-imidazo[1,5-a]pyridine-1,3-dione.
What is the SMILES notation for 2-benzyl-6,7-dimethyl-8,8a-dihydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
The canonical SMILES for 2-benzyl-6,7-dimethyl-8,8a-dihydro-5H-imidazo[1,5-a]pyridine-1,3-dione is CC1=C(C)CN2C(=O)N(Cc3ccccc3)C(=O)C2C1.
What is the InChIKey of 2-benzyl-6,7-dimethyl-8,8a-dihydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
The InChIKey is IBOLCSMAZYSFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11-8-14-15(19)18(10-13-6-4-3-5-7-13)16(20)17(14)9-12(11)2/h3-7,14H,8-10H2,1-2H3.
What are the key properties of 2-benzyl-6,7-dimethyl-8,8a-dihydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
2-benzyl-6,7-dimethyl-8,8a-dihydro-5H-imidazo[1,5-a]pyridine-1,3-dione has a molecular weight of 270.33 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6,7-dimethyl-8,8a-dihydro-5H-imidazo[1,5-a]pyridine-1,3-dione is sourced from PubChem (CID 71485093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).