5-tert-butyl-1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazine

C16H20N4 — CID 166503787

IUPAC5-tert-butyl-1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazine
SMILESCN1CN(c2ccccc2)c2nc(C(C)(C)C)cnc21
InChIInChI=1S/C16H20N4/c1-16(2,3)13-10-17-14-15(18-13)20(11-19(14)4)12-8-6-5-7-9-12/h5-10H,11H2,1-4H3
InChIKeyNSDNTUUJUDZEHT-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.32
Rot. Bonds1

About 5-tert-butyl-1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazine

5-tert-butyl-1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazine (PubChem CID 166503787) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 5-tert-butyl-1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazine.

Molecular Properties

Compound Name5-tert-butyl-1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazine
PubChem CID166503787
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name5-tert-butyl-1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazine
SMILESCN1CN(c2ccccc2)c2nc(C(C)(C)C)cnc21
InChIInChI=1S/C16H20N4/c1-16(2,3)13-10-17-14-15(18-13)20(11-19(14)4)12-8-6-5-7-9-12/h5-10H,11H2,1-4H3
InChIKeyNSDNTUUJUDZEHT-UHFFFAOYSA-N
XLogP3.32
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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-[3-(2,6-dimethylphenyl)-2,3-dimethylbutan-2-yl]-1,3-diphenyl-2H-imidazo[4,5-b]pyrazine
CID 140758577
5,6-bis(2,2-dimethylpropyl)-1,3-diphenyl-2H-imidazo[4,5-b]pyrazine
CID 58556241
3-(4-tert-butylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyrazine
CID 140758604
14-tert-butyl-11-phenyl-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,8,12,14,16-heptaene
CID 123789167
5-methyl-1-(2-methylphenyl)-3-phenyl-2H-imidazo[4,5-b]pyrazine
CID 157460278
9-(1-methyl-3-phenyl-2H-imidazo[4,5-b]pyridin-6-yl)carbazole
CID 171052794
3-tert-butyl-6-ethoxy-5,7-diphenyl-6,7,8,9-tetrahydropyrazino[2,3-b]azepine
CID 163464745
1-methyl-3,5-diphenyl-2H-imidazo[4,5-b]pyridine
CID 70665390
15-tert-butyl-9-methyl-11-phenyl-9-propyl-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene
CID 152849898
5,8-diethyl-1,3-diphenyl-2H-imidazo[4,5-b]quinoxaline
CID 140806408
CID 163717376
CID 163717376

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazine?
The IUPAC name of 5-tert-butyl-1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazine (CID 166503787) is 5-tert-butyl-1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazine.
What is the SMILES notation for 5-tert-butyl-1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazine?
The canonical SMILES for 5-tert-butyl-1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazine is CN1CN(c2ccccc2)c2nc(C(C)(C)C)cnc21.
What is the InChIKey of 5-tert-butyl-1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazine?
The InChIKey is NSDNTUUJUDZEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-16(2,3)13-10-17-14-15(18-13)20(11-19(14)4)12-8-6-5-7-9-12/h5-10H,11H2,1-4H3.
What are the key properties of 5-tert-butyl-1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazine?
5-tert-butyl-1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazine has a molecular weight of 268.36 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazine is sourced from PubChem (CID 166503787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).