1-(4-bromophenyl)-7-[(4-chlorophenyl)methyl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one

C19H15BrClN3O — CID 69365583

IUPAC1-(4-bromophenyl)-7-[(4-chlorophenyl)methyl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESO=C1Cn2cnc(-c3ccc(Br)cc3)c2CN1Cc1ccc(Cl)cc1
InChIInChI=1S/C19H15BrClN3O/c20-15-5-3-14(4-6-15)19-17-10-23(18(25)11-24(17)12-22-19)9-13-1-7-16(21)8-2-13/h1-8,12H,9-11H2
InChIKeyONSHVEAEZFZHQP-UHFFFAOYSA-N
MW416.71 g/mol
LogP4.51
Rot. Bonds3

About 1-(4-bromophenyl)-7-[(4-chlorophenyl)methyl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one

1-(4-bromophenyl)-7-[(4-chlorophenyl)methyl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (PubChem CID 69365583) has the molecular formula C19H15BrClN3O and a molecular weight of 416.71 g/mol. Its IUPAC name is 1-(4-bromophenyl)-7-[(4-chlorophenyl)methyl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.

Molecular Properties

Compound Name1-(4-bromophenyl)-7-[(4-chlorophenyl)methyl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
PubChem CID69365583
Molecular FormulaC19H15BrClN3O
Molecular Weight416.71 g/mol
Exact Mass415.01
IUPAC Name1-(4-bromophenyl)-7-[(4-chlorophenyl)methyl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESO=C1Cn2cnc(-c3ccc(Br)cc3)c2CN1Cc1ccc(Cl)cc1
InChIInChI=1S/C19H15BrClN3O/c20-15-5-3-14(4-6-15)19-17-10-23(18(25)11-24(17)12-22-19)9-13-1-7-16(21)8-2-13/h1-8,12H,9-11H2
InChIKeyONSHVEAEZFZHQP-UHFFFAOYSA-N
XLogP4.51
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.71
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-7-[(4-chlorophenyl)methyl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The IUPAC name of 1-(4-bromophenyl)-7-[(4-chlorophenyl)methyl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (CID 69365583) is 1-(4-bromophenyl)-7-[(4-chlorophenyl)methyl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.
What is the SMILES notation for 1-(4-bromophenyl)-7-[(4-chlorophenyl)methyl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The canonical SMILES for 1-(4-bromophenyl)-7-[(4-chlorophenyl)methyl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is O=C1Cn2cnc(-c3ccc(Br)cc3)c2CN1Cc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-bromophenyl)-7-[(4-chlorophenyl)methyl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The InChIKey is ONSHVEAEZFZHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrClN3O/c20-15-5-3-14(4-6-15)19-17-10-23(18(25)11-24(17)12-22-19)9-13-1-7-16(21)8-2-13/h1-8,12H,9-11H2.
What are the key properties of 1-(4-bromophenyl)-7-[(4-chlorophenyl)methyl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
1-(4-bromophenyl)-7-[(4-chlorophenyl)methyl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one has a molecular weight of 416.71 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-7-[(4-chlorophenyl)methyl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is sourced from PubChem (CID 69365583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).