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

C21H18ClN3O2 — CID 53118046

IUPAC7-(3-chloro-4-methylphenyl)-2-(4-ethoxyphenyl)imidazo[1,2-a]pyrazin-8-one
SMILESCCOc1ccc(-c2cn3ccn(-c4ccc(C)c(Cl)c4)c(=O)c3n2)cc1
InChIInChI=1S/C21H18ClN3O2/c1-3-27-17-8-5-15(6-9-17)19-13-24-10-11-25(21(26)20(24)23-19)16-7-4-14(2)18(22)12-16/h4-13H,3H2,1-2H3
InChIKeyZQDXBJOHDGUHSC-UHFFFAOYSA-N
MW379.85 g/mol
LogP4.51
Rot. Bonds4

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

7-(3-chloro-4-methylphenyl)-2-(4-ethoxyphenyl)imidazo[1,2-a]pyrazin-8-one (PubChem CID 53118046) has the molecular formula C21H18ClN3O2 and a molecular weight of 379.85 g/mol. Its IUPAC name is 7-(3-chloro-4-methylphenyl)-2-(4-ethoxyphenyl)imidazo[1,2-a]pyrazin-8-one.

Molecular Properties

Compound Name7-(3-chloro-4-methylphenyl)-2-(4-ethoxyphenyl)imidazo[1,2-a]pyrazin-8-one
PubChem CID53118046
Molecular FormulaC21H18ClN3O2
Molecular Weight379.85 g/mol
Exact Mass379.11
IUPAC Name7-(3-chloro-4-methylphenyl)-2-(4-ethoxyphenyl)imidazo[1,2-a]pyrazin-8-one
SMILESCCOc1ccc(-c2cn3ccn(-c4ccc(C)c(Cl)c4)c(=O)c3n2)cc1
InChIInChI=1S/C21H18ClN3O2/c1-3-27-17-8-5-15(6-9-17)19-13-24-10-11-25(21(26)20(24)23-19)16-7-4-14(2)18(22)12-16/h4-13H,3H2,1-2H3
InChIKeyZQDXBJOHDGUHSC-UHFFFAOYSA-N
XLogP4.51
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.85
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(3-chloro-4-methylphenyl)-2-(4-ethoxyphenyl)imidazo[1,2-a]pyrazin-8-one?
The IUPAC name of 7-(3-chloro-4-methylphenyl)-2-(4-ethoxyphenyl)imidazo[1,2-a]pyrazin-8-one (CID 53118046) is 7-(3-chloro-4-methylphenyl)-2-(4-ethoxyphenyl)imidazo[1,2-a]pyrazin-8-one.
What is the SMILES notation for 7-(3-chloro-4-methylphenyl)-2-(4-ethoxyphenyl)imidazo[1,2-a]pyrazin-8-one?
The canonical SMILES for 7-(3-chloro-4-methylphenyl)-2-(4-ethoxyphenyl)imidazo[1,2-a]pyrazin-8-one is CCOc1ccc(-c2cn3ccn(-c4ccc(C)c(Cl)c4)c(=O)c3n2)cc1.
What is the InChIKey of 7-(3-chloro-4-methylphenyl)-2-(4-ethoxyphenyl)imidazo[1,2-a]pyrazin-8-one?
The InChIKey is ZQDXBJOHDGUHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O2/c1-3-27-17-8-5-15(6-9-17)19-13-24-10-11-25(21(26)20(24)23-19)16-7-4-14(2)18(22)12-16/h4-13H,3H2,1-2H3.
What are the key properties of 7-(3-chloro-4-methylphenyl)-2-(4-ethoxyphenyl)imidazo[1,2-a]pyrazin-8-one?
7-(3-chloro-4-methylphenyl)-2-(4-ethoxyphenyl)imidazo[1,2-a]pyrazin-8-one has a molecular weight of 379.85 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chloro-4-methylphenyl)-2-(4-ethoxyphenyl)imidazo[1,2-a]pyrazin-8-one is sourced from PubChem (CID 53118046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).