5-[3-(2,6-dimethylphenyl)-2,3-dimethylbutan-2-yl]-1,3-diphenyl-2H-imidazo[4,5-b]pyrazine

C31H34N4 — CID 140758577

IUPAC5-[3-(2,6-dimethylphenyl)-2,3-dimethylbutan-2-yl]-1,3-diphenyl-2H-imidazo[4,5-b]pyrazine
SMILESCc1cccc(C)c1C(C)(C)C(C)(C)c1cnc2c(n1)N(c1ccccc1)CN2c1ccccc1
InChIInChI=1S/C31H34N4/c1-22-14-13-15-23(2)27(22)31(5,6)30(3,4)26-20-32-28-29(33-26)35(25-18-11-8-12-19-25)21-34(28)24-16-9-7-10-17-24/h7-20H,21H2,1-6H3
InChIKeyAHYDORCUMLOAOC-UHFFFAOYSA-N
MW462.64 g/mol
LogP7.60
Rot. Bonds5

About 5-[3-(2,6-dimethylphenyl)-2,3-dimethylbutan-2-yl]-1,3-diphenyl-2H-imidazo[4,5-b]pyrazine

5-[3-(2,6-dimethylphenyl)-2,3-dimethylbutan-2-yl]-1,3-diphenyl-2H-imidazo[4,5-b]pyrazine (PubChem CID 140758577) has the molecular formula C31H34N4 and a molecular weight of 462.64 g/mol. Its IUPAC name is 5-[3-(2,6-dimethylphenyl)-2,3-dimethylbutan-2-yl]-1,3-diphenyl-2H-imidazo[4,5-b]pyrazine.

Molecular Properties

Compound Name5-[3-(2,6-dimethylphenyl)-2,3-dimethylbutan-2-yl]-1,3-diphenyl-2H-imidazo[4,5-b]pyrazine
PubChem CID140758577
Molecular FormulaC31H34N4
Molecular Weight462.64 g/mol
Exact Mass462.28
IUPAC Name5-[3-(2,6-dimethylphenyl)-2,3-dimethylbutan-2-yl]-1,3-diphenyl-2H-imidazo[4,5-b]pyrazine
SMILESCc1cccc(C)c1C(C)(C)C(C)(C)c1cnc2c(n1)N(c1ccccc1)CN2c1ccccc1
InChIInChI=1S/C31H34N4/c1-22-14-13-15-23(2)27(22)31(5,6)30(3,4)26-20-32-28-29(33-26)35(25-18-11-8-12-19-25)21-34(28)24-16-9-7-10-17-24/h7-20H,21H2,1-6H3
InChIKeyAHYDORCUMLOAOC-UHFFFAOYSA-N
XLogP7.60
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.64
LogP ≤ 57.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[3-(2,6-dimethylphenyl)-2,3-dimethylbutan-2-yl]-1,3-diphenyl-2H-imidazo[4,5-b]pyrazine with MolForge

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Related Compounds

5-[2,3-dimethyl-3-(2-methylphenyl)butan-2-yl]-1,3-diphenyl-2H-imidazo[4,5-b]pyrazine
CID 140758573
5-methyl-1-(2-methylphenyl)-3-phenyl-2H-imidazo[4,5-b]pyrazine
CID 157460278
5-tert-butyl-1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazine
CID 166503787
3-(4-tert-butylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyrazine
CID 140758604
5,6-bis(2,2-dimethylpropyl)-1,3-diphenyl-2H-imidazo[4,5-b]pyrazine
CID 58556241
7-(2-methylphenyl)-9-phenyl-8H-purine
CID 58556269
5-(2-methylphenyl)-1,3-diphenyl-2H-imidazo[4,5-b]pyridine
CID 140743664
5,8-diethyl-1,3-diphenyl-2H-imidazo[4,5-b]quinoxaline
CID 140806408
6-ethyl-1,3-diphenyl-2H-imidazo[4,5-b]pyridine
CID 140743696
1,3-bis(3-methylphenyl)-2H-imidazo[4,5-b]pyrazine
CID 140706711
3-(2-methylphenyl)-1-phenyl-4-(trifluoromethyl)-2H-benzimidazole
CID 140794361
1,3-bis(4-methylphenyl)-2H-imidazo[4,5-b]pyrazine
CID 140758501

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2,6-dimethylphenyl)-2,3-dimethylbutan-2-yl]-1,3-diphenyl-2H-imidazo[4,5-b]pyrazine?
The IUPAC name of 5-[3-(2,6-dimethylphenyl)-2,3-dimethylbutan-2-yl]-1,3-diphenyl-2H-imidazo[4,5-b]pyrazine (CID 140758577) is 5-[3-(2,6-dimethylphenyl)-2,3-dimethylbutan-2-yl]-1,3-diphenyl-2H-imidazo[4,5-b]pyrazine.
What is the SMILES notation for 5-[3-(2,6-dimethylphenyl)-2,3-dimethylbutan-2-yl]-1,3-diphenyl-2H-imidazo[4,5-b]pyrazine?
The canonical SMILES for 5-[3-(2,6-dimethylphenyl)-2,3-dimethylbutan-2-yl]-1,3-diphenyl-2H-imidazo[4,5-b]pyrazine is Cc1cccc(C)c1C(C)(C)C(C)(C)c1cnc2c(n1)N(c1ccccc1)CN2c1ccccc1.
What is the InChIKey of 5-[3-(2,6-dimethylphenyl)-2,3-dimethylbutan-2-yl]-1,3-diphenyl-2H-imidazo[4,5-b]pyrazine?
The InChIKey is AHYDORCUMLOAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N4/c1-22-14-13-15-23(2)27(22)31(5,6)30(3,4)26-20-32-28-29(33-26)35(25-18-11-8-12-19-25)21-34(28)24-16-9-7-10-17-24/h7-20H,21H2,1-6H3.
What are the key properties of 5-[3-(2,6-dimethylphenyl)-2,3-dimethylbutan-2-yl]-1,3-diphenyl-2H-imidazo[4,5-b]pyrazine?
5-[3-(2,6-dimethylphenyl)-2,3-dimethylbutan-2-yl]-1,3-diphenyl-2H-imidazo[4,5-b]pyrazine has a molecular weight of 462.64 g/mol, XLogP of 7.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2,6-dimethylphenyl)-2,3-dimethylbutan-2-yl]-1,3-diphenyl-2H-imidazo[4,5-b]pyrazine is sourced from PubChem (CID 140758577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).