5,6-bis(2,2-dimethylpropyl)-1,3-diphenyl-2H-imidazo[4,5-b]pyrazine

C27H34N4 — CID 58556241

IUPAC5,6-bis(2,2-dimethylpropyl)-1,3-diphenyl-2H-imidazo[4,5-b]pyrazine
SMILESCC(C)(C)Cc1nc2c(nc1CC(C)(C)C)N(c1ccccc1)CN2c1ccccc1
InChIInChI=1S/C27H34N4/c1-26(2,3)17-22-23(18-27(4,5)6)29-25-24(28-22)30(20-13-9-7-10-14-20)19-31(25)21-15-11-8-12-16-21/h7-16H,17-19H2,1-6H3
InChIKeyPAKZHJKYFGUCON-UHFFFAOYSA-N
MW414.60 g/mol
LogP6.90
Rot. Bonds4

About 5,6-bis(2,2-dimethylpropyl)-1,3-diphenyl-2H-imidazo[4,5-b]pyrazine

5,6-bis(2,2-dimethylpropyl)-1,3-diphenyl-2H-imidazo[4,5-b]pyrazine (PubChem CID 58556241) has the molecular formula C27H34N4 and a molecular weight of 414.60 g/mol. Its IUPAC name is 5,6-bis(2,2-dimethylpropyl)-1,3-diphenyl-2H-imidazo[4,5-b]pyrazine.

Molecular Properties

Compound Name5,6-bis(2,2-dimethylpropyl)-1,3-diphenyl-2H-imidazo[4,5-b]pyrazine
PubChem CID58556241
Molecular FormulaC27H34N4
Molecular Weight414.60 g/mol
Exact Mass414.28
IUPAC Name5,6-bis(2,2-dimethylpropyl)-1,3-diphenyl-2H-imidazo[4,5-b]pyrazine
SMILESCC(C)(C)Cc1nc2c(nc1CC(C)(C)C)N(c1ccccc1)CN2c1ccccc1
InChIInChI=1S/C27H34N4/c1-26(2,3)17-22-23(18-27(4,5)6)29-25-24(28-22)30(20-13-9-7-10-14-20)19-31(25)21-15-11-8-12-16-21/h7-16H,17-19H2,1-6H3
InChIKeyPAKZHJKYFGUCON-UHFFFAOYSA-N
XLogP6.90
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.60
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5,8-diethyl-1,3-diphenyl-2H-imidazo[4,5-b]quinoxaline
CID 140806408
3-(4-tert-butylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyrazine
CID 140758604
5-tert-butyl-1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazine
CID 166503787
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
14,15-bis(2,2-dimethylpropyl)-8-ethenyl-8,9-dimethyl-11-phenyl-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene
CID 138507432
5-(2,2-dimethylpropyl)-1-phenylpyrazole
CID 58161963
6-ethyl-1,3-diphenyl-2H-imidazo[4,5-b]pyridine
CID 140743696
2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridin-3-amine
CID 63619289
5-tert-butyl-1,3-diphenyl-2H-benzimidazole
CID 155454874
5-(2-methylphenyl)-1,3-diphenyl-2H-imidazo[4,5-b]pyridine
CID 140743664

Frequently Asked Questions

What is the IUPAC name of 5,6-bis(2,2-dimethylpropyl)-1,3-diphenyl-2H-imidazo[4,5-b]pyrazine?
The IUPAC name of 5,6-bis(2,2-dimethylpropyl)-1,3-diphenyl-2H-imidazo[4,5-b]pyrazine (CID 58556241) is 5,6-bis(2,2-dimethylpropyl)-1,3-diphenyl-2H-imidazo[4,5-b]pyrazine.
What is the SMILES notation for 5,6-bis(2,2-dimethylpropyl)-1,3-diphenyl-2H-imidazo[4,5-b]pyrazine?
The canonical SMILES for 5,6-bis(2,2-dimethylpropyl)-1,3-diphenyl-2H-imidazo[4,5-b]pyrazine is CC(C)(C)Cc1nc2c(nc1CC(C)(C)C)N(c1ccccc1)CN2c1ccccc1.
What is the InChIKey of 5,6-bis(2,2-dimethylpropyl)-1,3-diphenyl-2H-imidazo[4,5-b]pyrazine?
The InChIKey is PAKZHJKYFGUCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4/c1-26(2,3)17-22-23(18-27(4,5)6)29-25-24(28-22)30(20-13-9-7-10-14-20)19-31(25)21-15-11-8-12-16-21/h7-16H,17-19H2,1-6H3.
What are the key properties of 5,6-bis(2,2-dimethylpropyl)-1,3-diphenyl-2H-imidazo[4,5-b]pyrazine?
5,6-bis(2,2-dimethylpropyl)-1,3-diphenyl-2H-imidazo[4,5-b]pyrazine has a molecular weight of 414.60 g/mol, XLogP of 6.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(2,2-dimethylpropyl)-1,3-diphenyl-2H-imidazo[4,5-b]pyrazine is sourced from PubChem (CID 58556241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).