7-benzyl-2-(2,4-difluorophenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;hydrochloride

C19H18ClF2N3O2 — CID 24734110

IUPAC7-benzyl-2-(2,4-difluorophenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;hydrochloride
SMILESCl.O=C1C2CN(Cc3ccccc3)CCN2C(=O)N1c1ccc(F)cc1F
InChIInChI=1S/C19H17F2N3O2.ClH/c20-14-6-7-16(15(21)10-14)24-18(25)17-12-22(8-9-23(17)19(24)26)11-13-4-2-1-3-5-13;/h1-7,10,17H,8-9,11-12H2;1H
InChIKeyATLAGQXIEAACJQ-UHFFFAOYSA-N
MW393.82 g/mol
LogP3.04
Rot. Bonds3

About 7-benzyl-2-(2,4-difluorophenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;hydrochloride

7-benzyl-2-(2,4-difluorophenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;hydrochloride (PubChem CID 24734110) has the molecular formula C19H18ClF2N3O2 and a molecular weight of 393.82 g/mol. Its IUPAC name is 7-benzyl-2-(2,4-difluorophenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;hydrochloride.

Molecular Properties

Compound Name7-benzyl-2-(2,4-difluorophenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;hydrochloride
PubChem CID24734110
Molecular FormulaC19H18ClF2N3O2
Molecular Weight393.82 g/mol
Exact Mass393.11
IUPAC Name7-benzyl-2-(2,4-difluorophenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;hydrochloride
SMILESCl.O=C1C2CN(Cc3ccccc3)CCN2C(=O)N1c1ccc(F)cc1F
InChIInChI=1S/C19H17F2N3O2.ClH/c20-14-6-7-16(15(21)10-14)24-18(25)17-12-22(8-9-23(17)19(24)26)11-13-4-2-1-3-5-13;/h1-7,10,17H,8-9,11-12H2;1H
InChIKeyATLAGQXIEAACJQ-UHFFFAOYSA-N
XLogP3.04
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.82
LogP ≤ 53.04
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

7-benzyl-2-propan-2-yl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;hydrochloride
CID 24734121
1-benzyl-4-(2,4-difluorophenyl)piperazine
CID 110454865
4-(4-benzylpiperazine-1-carbonyl)-1-(2,4-difluorophenyl)pyrrolidin-2-one
CID 113190652
4-benzyl-1-(2,4-difluorophenyl)-3-methylpiperazin-2-one
CID 24716306
(7R,9aR)-7-benzyl-2-[(3-fluorophenyl)methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 56851976
(3R)-3-(4-benzylpiperazin-1-yl)-1-(2,4-dichlorophenyl)pyrrolidine-2,5-dione
CID 93235132
1-benzyl-4-(2,4-difluorophenyl)sulfonylpiperazine
CID 19682650
2-benzyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 10492024
1-(4-benzyl-6-hydroxy-1,4-diazepan-1-yl)-2-(2,4-difluorophenyl)ethanone
CID 72890028
2-(2-methoxyphenyl)-7-prop-2-enyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
CID 24734214
2-phenyl-8-[(4-propan-2-yloxyphenyl)methyl]-6,7,9,9a-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine-1,3-dione
CID 154579289
1-(2,4-dichlorophenyl)-4-[(3-fluorophenyl)methyl]-2-(4-methylphenyl)piperazine
CID 149167124

Frequently Asked Questions

What is the IUPAC name of 7-benzyl-2-(2,4-difluorophenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;hydrochloride?
The IUPAC name of 7-benzyl-2-(2,4-difluorophenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;hydrochloride (CID 24734110) is 7-benzyl-2-(2,4-difluorophenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;hydrochloride.
What is the SMILES notation for 7-benzyl-2-(2,4-difluorophenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;hydrochloride?
The canonical SMILES for 7-benzyl-2-(2,4-difluorophenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;hydrochloride is Cl.O=C1C2CN(Cc3ccccc3)CCN2C(=O)N1c1ccc(F)cc1F.
What is the InChIKey of 7-benzyl-2-(2,4-difluorophenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;hydrochloride?
The InChIKey is ATLAGQXIEAACJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O2.ClH/c20-14-6-7-16(15(21)10-14)24-18(25)17-12-22(8-9-23(17)19(24)26)11-13-4-2-1-3-5-13;/h1-7,10,17H,8-9,11-12H2;1H.
What are the key properties of 7-benzyl-2-(2,4-difluorophenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;hydrochloride?
7-benzyl-2-(2,4-difluorophenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;hydrochloride has a molecular weight of 393.82 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-2-(2,4-difluorophenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;hydrochloride is sourced from PubChem (CID 24734110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).