2-(4-bromophenyl)-7-(3,4-dimethylphenyl)imidazo[1,2-a]pyrazin-8-one

C20H16BrN3O — CID 53036408

IUPAC2-(4-bromophenyl)-7-(3,4-dimethylphenyl)imidazo[1,2-a]pyrazin-8-one
SMILESCc1ccc(-n2ccn3cc(-c4ccc(Br)cc4)nc3c2=O)cc1C
InChIInChI=1S/C20H16BrN3O/c1-13-3-8-17(11-14(13)2)24-10-9-23-12-18(22-19(23)20(24)25)15-4-6-16(21)7-5-15/h3-12H,1-2H3
InChIKeyCQOGEORKPVPKIS-UHFFFAOYSA-N
MW394.27 g/mol
LogP4.53
Rot. Bonds2

About 2-(4-bromophenyl)-7-(3,4-dimethylphenyl)imidazo[1,2-a]pyrazin-8-one

2-(4-bromophenyl)-7-(3,4-dimethylphenyl)imidazo[1,2-a]pyrazin-8-one (PubChem CID 53036408) has the molecular formula C20H16BrN3O and a molecular weight of 394.27 g/mol. Its IUPAC name is 2-(4-bromophenyl)-7-(3,4-dimethylphenyl)imidazo[1,2-a]pyrazin-8-one.

Molecular Properties

Compound Name2-(4-bromophenyl)-7-(3,4-dimethylphenyl)imidazo[1,2-a]pyrazin-8-one
PubChem CID53036408
Molecular FormulaC20H16BrN3O
Molecular Weight394.27 g/mol
Exact Mass393.05
IUPAC Name2-(4-bromophenyl)-7-(3,4-dimethylphenyl)imidazo[1,2-a]pyrazin-8-one
SMILESCc1ccc(-n2ccn3cc(-c4ccc(Br)cc4)nc3c2=O)cc1C
InChIInChI=1S/C20H16BrN3O/c1-13-3-8-17(11-14(13)2)24-10-9-23-12-18(22-19(23)20(24)25)15-4-6-16(21)7-5-15/h3-12H,1-2H3
InChIKeyCQOGEORKPVPKIS-UHFFFAOYSA-N
XLogP4.53
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.27
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-7-(3,4-dimethylphenyl)imidazo[1,2-a]pyrazin-8-one?
The IUPAC name of 2-(4-bromophenyl)-7-(3,4-dimethylphenyl)imidazo[1,2-a]pyrazin-8-one (CID 53036408) is 2-(4-bromophenyl)-7-(3,4-dimethylphenyl)imidazo[1,2-a]pyrazin-8-one.
What is the SMILES notation for 2-(4-bromophenyl)-7-(3,4-dimethylphenyl)imidazo[1,2-a]pyrazin-8-one?
The canonical SMILES for 2-(4-bromophenyl)-7-(3,4-dimethylphenyl)imidazo[1,2-a]pyrazin-8-one is Cc1ccc(-n2ccn3cc(-c4ccc(Br)cc4)nc3c2=O)cc1C.
What is the InChIKey of 2-(4-bromophenyl)-7-(3,4-dimethylphenyl)imidazo[1,2-a]pyrazin-8-one?
The InChIKey is CQOGEORKPVPKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrN3O/c1-13-3-8-17(11-14(13)2)24-10-9-23-12-18(22-19(23)20(24)25)15-4-6-16(21)7-5-15/h3-12H,1-2H3.
What are the key properties of 2-(4-bromophenyl)-7-(3,4-dimethylphenyl)imidazo[1,2-a]pyrazin-8-one?
2-(4-bromophenyl)-7-(3,4-dimethylphenyl)imidazo[1,2-a]pyrazin-8-one has a molecular weight of 394.27 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-7-(3,4-dimethylphenyl)imidazo[1,2-a]pyrazin-8-one is sourced from PubChem (CID 53036408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).