5-[2,3-dimethyl-3-(2-methylphenyl)butan-2-yl]-1,3-diphenyl-2H-imidazo[4,5-b]pyrazine

C30H32N4 — CID 140758573

IUPAC5-[2,3-dimethyl-3-(2-methylphenyl)butan-2-yl]-1,3-diphenyl-2H-imidazo[4,5-b]pyrazine
SMILESCc1ccccc1C(C)(C)C(C)(C)c1cnc2c(n1)N(c1ccccc1)CN2c1ccccc1
InChIInChI=1S/C30H32N4/c1-22-14-12-13-19-25(22)29(2,3)30(4,5)26-20-31-27-28(32-26)34(24-17-10-7-11-18-24)21-33(27)23-15-8-6-9-16-23/h6-20H,21H2,1-5H3
InChIKeyHVUHLPGFCCHUMI-UHFFFAOYSA-N
MW448.61 g/mol
LogP7.29
Rot. Bonds5

About 5-[2,3-dimethyl-3-(2-methylphenyl)butan-2-yl]-1,3-diphenyl-2H-imidazo[4,5-b]pyrazine

5-[2,3-dimethyl-3-(2-methylphenyl)butan-2-yl]-1,3-diphenyl-2H-imidazo[4,5-b]pyrazine (PubChem CID 140758573) has the molecular formula C30H32N4 and a molecular weight of 448.61 g/mol. Its IUPAC name is 5-[2,3-dimethyl-3-(2-methylphenyl)butan-2-yl]-1,3-diphenyl-2H-imidazo[4,5-b]pyrazine.

Molecular Properties

Compound Name5-[2,3-dimethyl-3-(2-methylphenyl)butan-2-yl]-1,3-diphenyl-2H-imidazo[4,5-b]pyrazine
PubChem CID140758573
Molecular FormulaC30H32N4
Molecular Weight448.61 g/mol
Exact Mass448.26
IUPAC Name5-[2,3-dimethyl-3-(2-methylphenyl)butan-2-yl]-1,3-diphenyl-2H-imidazo[4,5-b]pyrazine
SMILESCc1ccccc1C(C)(C)C(C)(C)c1cnc2c(n1)N(c1ccccc1)CN2c1ccccc1
InChIInChI=1S/C30H32N4/c1-22-14-12-13-19-25(22)29(2,3)30(4,5)26-20-31-27-28(32-26)34(24-17-10-7-11-18-24)21-33(27)23-15-8-6-9-16-23/h6-20H,21H2,1-5H3
InChIKeyHVUHLPGFCCHUMI-UHFFFAOYSA-N
XLogP7.29
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.61
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[2,3-dimethyl-3-(2-methylphenyl)butan-2-yl]-1,3-diphenyl-2H-imidazo[4,5-b]pyrazine with MolForge

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Related Compounds

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
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
[2,3-dimethyl-3-(1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-id-5-yl)butan-2-yl]-trimethylsilane;iridium
CID 154618964
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-[2,3-dimethyl-3-(2-methylphenyl)butan-2-yl]-1,3-diphenyl-2H-imidazo[4,5-b]pyrazine?
The IUPAC name of 5-[2,3-dimethyl-3-(2-methylphenyl)butan-2-yl]-1,3-diphenyl-2H-imidazo[4,5-b]pyrazine (CID 140758573) is 5-[2,3-dimethyl-3-(2-methylphenyl)butan-2-yl]-1,3-diphenyl-2H-imidazo[4,5-b]pyrazine.
What is the SMILES notation for 5-[2,3-dimethyl-3-(2-methylphenyl)butan-2-yl]-1,3-diphenyl-2H-imidazo[4,5-b]pyrazine?
The canonical SMILES for 5-[2,3-dimethyl-3-(2-methylphenyl)butan-2-yl]-1,3-diphenyl-2H-imidazo[4,5-b]pyrazine is Cc1ccccc1C(C)(C)C(C)(C)c1cnc2c(n1)N(c1ccccc1)CN2c1ccccc1.
What is the InChIKey of 5-[2,3-dimethyl-3-(2-methylphenyl)butan-2-yl]-1,3-diphenyl-2H-imidazo[4,5-b]pyrazine?
The InChIKey is HVUHLPGFCCHUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4/c1-22-14-12-13-19-25(22)29(2,3)30(4,5)26-20-31-27-28(32-26)34(24-17-10-7-11-18-24)21-33(27)23-15-8-6-9-16-23/h6-20H,21H2,1-5H3.
What are the key properties of 5-[2,3-dimethyl-3-(2-methylphenyl)butan-2-yl]-1,3-diphenyl-2H-imidazo[4,5-b]pyrazine?
5-[2,3-dimethyl-3-(2-methylphenyl)butan-2-yl]-1,3-diphenyl-2H-imidazo[4,5-b]pyrazine has a molecular weight of 448.61 g/mol, XLogP of 7.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,3-dimethyl-3-(2-methylphenyl)butan-2-yl]-1,3-diphenyl-2H-imidazo[4,5-b]pyrazine is sourced from PubChem (CID 140758573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).