2-ethoxy-1-phenyl-3-(2-phenylphenyl)-2H-imidazo[4,5-b]pyrazine

C25H22N4O — CID 118429258

IUPAC2-ethoxy-1-phenyl-3-(2-phenylphenyl)-2H-imidazo[4,5-b]pyrazine
SMILESCCOC1N(c2ccccc2)c2nccnc2N1c1ccccc1-c1ccccc1
InChIInChI=1S/C25H22N4O/c1-2-30-25-28(20-13-7-4-8-14-20)23-24(27-18-17-26-23)29(25)22-16-10-9-15-21(22)19-11-5-3-6-12-19/h3-18,25H,2H2,1H3
InChIKeyANSXKHSLGXHRNT-UHFFFAOYSA-N
MW394.48 g/mol
LogP5.75
Rot. Bonds5

About 2-ethoxy-1-phenyl-3-(2-phenylphenyl)-2H-imidazo[4,5-b]pyrazine

2-ethoxy-1-phenyl-3-(2-phenylphenyl)-2H-imidazo[4,5-b]pyrazine (PubChem CID 118429258) has the molecular formula C25H22N4O and a molecular weight of 394.48 g/mol. Its IUPAC name is 2-ethoxy-1-phenyl-3-(2-phenylphenyl)-2H-imidazo[4,5-b]pyrazine.

Molecular Properties

Compound Name2-ethoxy-1-phenyl-3-(2-phenylphenyl)-2H-imidazo[4,5-b]pyrazine
PubChem CID118429258
Molecular FormulaC25H22N4O
Molecular Weight394.48 g/mol
Exact Mass394.18
IUPAC Name2-ethoxy-1-phenyl-3-(2-phenylphenyl)-2H-imidazo[4,5-b]pyrazine
SMILESCCOC1N(c2ccccc2)c2nccnc2N1c1ccccc1-c1ccccc1
InChIInChI=1S/C25H22N4O/c1-2-30-25-28(20-13-7-4-8-14-20)23-24(27-18-17-26-23)29(25)22-16-10-9-15-21(22)19-11-5-3-6-12-19/h3-18,25H,2H2,1H3
InChIKeyANSXKHSLGXHRNT-UHFFFAOYSA-N
XLogP5.75
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.48
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-phenyl-3-(2-phenylphenyl)-2H-imidazo[4,5-b]pyrazine?
The IUPAC name of 2-ethoxy-1-phenyl-3-(2-phenylphenyl)-2H-imidazo[4,5-b]pyrazine (CID 118429258) is 2-ethoxy-1-phenyl-3-(2-phenylphenyl)-2H-imidazo[4,5-b]pyrazine.
What is the SMILES notation for 2-ethoxy-1-phenyl-3-(2-phenylphenyl)-2H-imidazo[4,5-b]pyrazine?
The canonical SMILES for 2-ethoxy-1-phenyl-3-(2-phenylphenyl)-2H-imidazo[4,5-b]pyrazine is CCOC1N(c2ccccc2)c2nccnc2N1c1ccccc1-c1ccccc1.
What is the InChIKey of 2-ethoxy-1-phenyl-3-(2-phenylphenyl)-2H-imidazo[4,5-b]pyrazine?
The InChIKey is ANSXKHSLGXHRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O/c1-2-30-25-28(20-13-7-4-8-14-20)23-24(27-18-17-26-23)29(25)22-16-10-9-15-21(22)19-11-5-3-6-12-19/h3-18,25H,2H2,1H3.
What are the key properties of 2-ethoxy-1-phenyl-3-(2-phenylphenyl)-2H-imidazo[4,5-b]pyrazine?
2-ethoxy-1-phenyl-3-(2-phenylphenyl)-2H-imidazo[4,5-b]pyrazine has a molecular weight of 394.48 g/mol, XLogP of 5.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-phenyl-3-(2-phenylphenyl)-2H-imidazo[4,5-b]pyrazine is sourced from PubChem (CID 118429258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).