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

C21H22N4 — CID 140758604

IUPAC3-(4-tert-butylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyrazine
SMILESCC(C)(C)c1ccc(N2CN(c3ccccc3)c3nccnc32)cc1
InChIInChI=1S/C21H22N4/c1-21(2,3)16-9-11-18(12-10-16)25-15-24(17-7-5-4-6-8-17)19-20(25)23-14-13-22-19/h4-14H,15H2,1-3H3
InChIKeyDEDWFXDAAVBIAC-UHFFFAOYSA-N
MW330.44 g/mol
LogP5.02
Rot. Bonds2

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

3-(4-tert-butylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyrazine (PubChem CID 140758604) has the molecular formula C21H22N4 and a molecular weight of 330.44 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyrazine.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyrazine
PubChem CID140758604
Molecular FormulaC21H22N4
Molecular Weight330.44 g/mol
Exact Mass330.18
IUPAC Name3-(4-tert-butylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyrazine
SMILESCC(C)(C)c1ccc(N2CN(c3ccccc3)c3nccnc32)cc1
InChIInChI=1S/C21H22N4/c1-21(2,3)16-9-11-18(12-10-16)25-15-24(17-7-5-4-6-8-17)19-20(25)23-14-13-22-19/h4-14H,15H2,1-3H3
InChIKeyDEDWFXDAAVBIAC-UHFFFAOYSA-N
XLogP5.02
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.44
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-tert-butylphenyl)-1-(2-phenylphenyl)-2H-imidazo[4,5-b]pyridine
CID 140794417
1,3-bis(4-methylphenyl)-2H-imidazo[4,5-b]pyrazine
CID 140758501
iridium;1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazine
CID 172522404
5-tert-butyl-1,3-diphenyl-2H-benzimidazole
CID 155454874
1,3-bis(3-methylphenyl)-2H-imidazo[4,5-b]pyrazine
CID 140706711
5,6-bis(2,2-dimethylpropyl)-1,3-diphenyl-2H-imidazo[4,5-b]pyrazine
CID 58556241
9-(4-tert-butyl-2-pyridinyl)-2-[2,2-diphenyl-1-[3-(1-phenyl-2H-imidazo[4,5-b]pyrazin-3-yl)phenyl]ethenyl]carbazole
CID 176871554
5-tert-butyl-1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazine
CID 166503787
5-(4-tert-butylphenyl)-10-phenylphenazine
CID 90180989
5-[2,3-dimethyl-3-(2-methylphenyl)butan-2-yl]-1,3-diphenyl-2H-imidazo[4,5-b]pyrazine
CID 140758573
5-[3-(2,6-dimethylphenyl)-2,3-dimethylbutan-2-yl]-1,3-diphenyl-2H-imidazo[4,5-b]pyrazine
CID 140758577
5-methyl-1-(2-methylphenyl)-3-phenyl-2H-imidazo[4,5-b]pyrazine
CID 157460278

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyrazine?
The IUPAC name of 3-(4-tert-butylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyrazine (CID 140758604) is 3-(4-tert-butylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyrazine.
What is the SMILES notation for 3-(4-tert-butylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyrazine?
The canonical SMILES for 3-(4-tert-butylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyrazine is CC(C)(C)c1ccc(N2CN(c3ccccc3)c3nccnc32)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyrazine?
The InChIKey is DEDWFXDAAVBIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4/c1-21(2,3)16-9-11-18(12-10-16)25-15-24(17-7-5-4-6-8-17)19-20(25)23-14-13-22-19/h4-14H,15H2,1-3H3.
What are the key properties of 3-(4-tert-butylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyrazine?
3-(4-tert-butylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyrazine has a molecular weight of 330.44 g/mol, XLogP of 5.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyrazine is sourced from PubChem (CID 140758604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).