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

C20H16ClN3O — CID 53036422

IUPAC7-(3-chloro-4-methylphenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyrazin-8-one
SMILESCc1ccc(-c2cn3ccn(-c4ccc(C)c(Cl)c4)c(=O)c3n2)cc1
InChIInChI=1S/C20H16ClN3O/c1-13-3-6-15(7-4-13)18-12-23-9-10-24(20(25)19(23)22-18)16-8-5-14(2)17(21)11-16/h3-12H,1-2H3
InChIKeyDTLJCIRQSVOYBF-UHFFFAOYSA-N
MW349.82 g/mol
LogP4.42
Rot. Bonds2

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

7-(3-chloro-4-methylphenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyrazin-8-one (PubChem CID 53036422) has the molecular formula C20H16ClN3O and a molecular weight of 349.82 g/mol. Its IUPAC name is 7-(3-chloro-4-methylphenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyrazin-8-one.

Molecular Properties

Compound Name7-(3-chloro-4-methylphenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyrazin-8-one
PubChem CID53036422
Molecular FormulaC20H16ClN3O
Molecular Weight349.82 g/mol
Exact Mass349.10
IUPAC Name7-(3-chloro-4-methylphenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyrazin-8-one
SMILESCc1ccc(-c2cn3ccn(-c4ccc(C)c(Cl)c4)c(=O)c3n2)cc1
InChIInChI=1S/C20H16ClN3O/c1-13-3-6-15(7-4-13)18-12-23-9-10-24(20(25)19(23)22-18)16-8-5-14(2)17(21)11-16/h3-12H,1-2H3
InChIKeyDTLJCIRQSVOYBF-UHFFFAOYSA-N
XLogP4.42
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(3-chloro-4-methylphenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyrazin-8-one?
The IUPAC name of 7-(3-chloro-4-methylphenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyrazin-8-one (CID 53036422) is 7-(3-chloro-4-methylphenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyrazin-8-one.
What is the SMILES notation for 7-(3-chloro-4-methylphenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyrazin-8-one?
The canonical SMILES for 7-(3-chloro-4-methylphenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyrazin-8-one is Cc1ccc(-c2cn3ccn(-c4ccc(C)c(Cl)c4)c(=O)c3n2)cc1.
What is the InChIKey of 7-(3-chloro-4-methylphenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyrazin-8-one?
The InChIKey is DTLJCIRQSVOYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O/c1-13-3-6-15(7-4-13)18-12-23-9-10-24(20(25)19(23)22-18)16-8-5-14(2)17(21)11-16/h3-12H,1-2H3.
What are the key properties of 7-(3-chloro-4-methylphenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyrazin-8-one?
7-(3-chloro-4-methylphenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyrazin-8-one has a molecular weight of 349.82 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chloro-4-methylphenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyrazin-8-one is sourced from PubChem (CID 53036422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).