2-(3,5-dichlorophenyl)-8-phenyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione

C19H16Cl2N2O2 — CID 18715743

IUPAC2-(3,5-dichlorophenyl)-8-phenyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
SMILESO=C1C2C(c3ccccc3)CCCN2C(=O)N1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C19H16Cl2N2O2/c20-13-9-14(21)11-15(10-13)23-18(24)17-16(12-5-2-1-3-6-12)7-4-8-22(17)19(23)25/h1-3,5-6,9-11,16-17H,4,7-8H2
InChIKeySJZMLTLUSIVJNP-UHFFFAOYSA-N
MW375.26 g/mol
LogP4.71
Rot. Bonds2

About 2-(3,5-dichlorophenyl)-8-phenyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione

2-(3,5-dichlorophenyl)-8-phenyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione (PubChem CID 18715743) has the molecular formula C19H16Cl2N2O2 and a molecular weight of 375.26 g/mol. Its IUPAC name is 2-(3,5-dichlorophenyl)-8-phenyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione.

Molecular Properties

Compound Name2-(3,5-dichlorophenyl)-8-phenyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
PubChem CID18715743
Molecular FormulaC19H16Cl2N2O2
Molecular Weight375.26 g/mol
Exact Mass374.06
IUPAC Name2-(3,5-dichlorophenyl)-8-phenyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
SMILESO=C1C2C(c3ccccc3)CCCN2C(=O)N1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C19H16Cl2N2O2/c20-13-9-14(21)11-15(10-13)23-18(24)17-16(12-5-2-1-3-6-12)7-4-8-22(17)19(23)25/h1-3,5-6,9-11,16-17H,4,7-8H2
InChIKeySJZMLTLUSIVJNP-UHFFFAOYSA-N
XLogP4.71
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.26
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3,5-dichlorophenyl)-5,6,7,8,9,9a-hexahydroimidazo[1,5-a]azepine-1,3-dione
CID 106702937
1-(1-acetyl-3-phenylpyrrolidin-2-yl)ethanone;1-[(3,5-dichlorophenyl)carbamoyl]-3-phenylpyrrolidine-2-carboxylic acid;2-(3,5-dichlorophenyl)-7-phenyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione;3-phenylpyrrolidine-2-carboxylic acid
CID 158469652
3-(3,5-dichlorophenyl)-1-methyl-5-phenylimidazolidine-2,4-dione
CID 86820061
(7aS)-2-(4-chlorophenyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 93242728
(1R,2S,6R,7S,8R)-4-(3,5-dichlorophenyl)-8-phenyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 68545066
(3aR,4S,7R,7aR)-2-(4-chlorophenyl)-4,7-diphenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 11900144
6-(3,5-dichlorophenyl)-3,7a-dihydro-1H-imidazo[1,5-c]imidazol-2-ide-5,7-dione;methanidylbenzene;tungsten(2+)
CID 59917089
3-(8-methyl-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-2-yl)benzonitrile
CID 107071997
4-[(8S,8aR)-8-hydroxy-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-2-yl]benzonitrile
CID 99836248
(8R,8aS)-8-hydroxy-2-(2-methylphenyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 100639472
4-[(8R,8aS)-8-hydroxy-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-2-yl]benzonitrile
CID 99836245
2-(3,5-dichlorophenyl)-7-ethyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 107653887

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenyl)-8-phenyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
The IUPAC name of 2-(3,5-dichlorophenyl)-8-phenyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione (CID 18715743) is 2-(3,5-dichlorophenyl)-8-phenyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione.
What is the SMILES notation for 2-(3,5-dichlorophenyl)-8-phenyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
The canonical SMILES for 2-(3,5-dichlorophenyl)-8-phenyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione is O=C1C2C(c3ccccc3)CCCN2C(=O)N1c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-(3,5-dichlorophenyl)-8-phenyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
The InChIKey is SJZMLTLUSIVJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O2/c20-13-9-14(21)11-15(10-13)23-18(24)17-16(12-5-2-1-3-6-12)7-4-8-22(17)19(23)25/h1-3,5-6,9-11,16-17H,4,7-8H2.
What are the key properties of 2-(3,5-dichlorophenyl)-8-phenyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
2-(3,5-dichlorophenyl)-8-phenyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione has a molecular weight of 375.26 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenyl)-8-phenyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione is sourced from PubChem (CID 18715743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).