3-(4-chlorophenyl)-6-(3-ethoxyphenyl)imidazo[1,2-a]pyrazine

C20H16ClN3O — CID 155552981

IUPAC3-(4-chlorophenyl)-6-(3-ethoxyphenyl)imidazo[1,2-a]pyrazine
SMILESCCOc1cccc(-c2cn3c(-c4ccc(Cl)cc4)cnc3cn2)c1
InChIInChI=1S/C20H16ClN3O/c1-2-25-17-5-3-4-15(10-17)18-13-24-19(11-23-20(24)12-22-18)14-6-8-16(21)9-7-14/h3-13H,2H2,1H3
InChIKeyPJYKVPOJSMOYQH-UHFFFAOYSA-N
MW349.82 g/mol
LogP5.12
Rot. Bonds4

About 3-(4-chlorophenyl)-6-(3-ethoxyphenyl)imidazo[1,2-a]pyrazine

3-(4-chlorophenyl)-6-(3-ethoxyphenyl)imidazo[1,2-a]pyrazine (PubChem CID 155552981) has the molecular formula C20H16ClN3O and a molecular weight of 349.82 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-6-(3-ethoxyphenyl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-6-(3-ethoxyphenyl)imidazo[1,2-a]pyrazine
PubChem CID155552981
Molecular FormulaC20H16ClN3O
Molecular Weight349.82 g/mol
Exact Mass349.10
IUPAC Name3-(4-chlorophenyl)-6-(3-ethoxyphenyl)imidazo[1,2-a]pyrazine
SMILESCCOc1cccc(-c2cn3c(-c4ccc(Cl)cc4)cnc3cn2)c1
InChIInChI=1S/C20H16ClN3O/c1-2-25-17-5-3-4-15(10-17)18-13-24-19(11-23-20(24)12-22-18)14-6-8-16(21)9-7-14/h3-13H,2H2,1H3
InChIKeyPJYKVPOJSMOYQH-UHFFFAOYSA-N
XLogP5.12
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.82
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-6-(3-ethoxyphenyl)imidazo[1,2-a]pyrazine?
The IUPAC name of 3-(4-chlorophenyl)-6-(3-ethoxyphenyl)imidazo[1,2-a]pyrazine (CID 155552981) is 3-(4-chlorophenyl)-6-(3-ethoxyphenyl)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 3-(4-chlorophenyl)-6-(3-ethoxyphenyl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 3-(4-chlorophenyl)-6-(3-ethoxyphenyl)imidazo[1,2-a]pyrazine is CCOc1cccc(-c2cn3c(-c4ccc(Cl)cc4)cnc3cn2)c1.
What is the InChIKey of 3-(4-chlorophenyl)-6-(3-ethoxyphenyl)imidazo[1,2-a]pyrazine?
The InChIKey is PJYKVPOJSMOYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O/c1-2-25-17-5-3-4-15(10-17)18-13-24-19(11-23-20(24)12-22-18)14-6-8-16(21)9-7-14/h3-13H,2H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-6-(3-ethoxyphenyl)imidazo[1,2-a]pyrazine?
3-(4-chlorophenyl)-6-(3-ethoxyphenyl)imidazo[1,2-a]pyrazine has a molecular weight of 349.82 g/mol, XLogP of 5.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-6-(3-ethoxyphenyl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 155552981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).