3-(3,5-dimethylphenyl)-2-methyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine

C21H22N4 — CID 121403727

IUPAC3-(3,5-dimethylphenyl)-2-methyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine
SMILESCc1cc(C)cc(N2c3nccnc3N(c3ccccc3C)C2C)c1
InChIInChI=1S/C21H22N4/c1-14-11-15(2)13-18(12-14)24-17(4)25(19-8-6-5-7-16(19)3)21-20(24)22-9-10-23-21/h5-13,17H,1-4H3
InChIKeyVHKPASMDKKVLSX-UHFFFAOYSA-N
MW330.44 g/mol
LogP5.04
Rot. Bonds2

About 3-(3,5-dimethylphenyl)-2-methyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine

3-(3,5-dimethylphenyl)-2-methyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine (PubChem CID 121403727) has the molecular formula C21H22N4 and a molecular weight of 330.44 g/mol. Its IUPAC name is 3-(3,5-dimethylphenyl)-2-methyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine.

Molecular Properties

Compound Name3-(3,5-dimethylphenyl)-2-methyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine
PubChem CID121403727
Molecular FormulaC21H22N4
Molecular Weight330.44 g/mol
Exact Mass330.18
IUPAC Name3-(3,5-dimethylphenyl)-2-methyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine
SMILESCc1cc(C)cc(N2c3nccnc3N(c3ccccc3C)C2C)c1
InChIInChI=1S/C21H22N4/c1-14-11-15(2)13-18(12-14)24-17(4)25(19-8-6-5-7-16(19)3)21-20(24)22-9-10-23-21/h5-13,17H,1-4H3
InChIKeyVHKPASMDKKVLSX-UHFFFAOYSA-N
XLogP5.04
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 ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenyl)-2-methyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine?
The IUPAC name of 3-(3,5-dimethylphenyl)-2-methyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine (CID 121403727) is 3-(3,5-dimethylphenyl)-2-methyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine.
What is the SMILES notation for 3-(3,5-dimethylphenyl)-2-methyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine?
The canonical SMILES for 3-(3,5-dimethylphenyl)-2-methyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine is Cc1cc(C)cc(N2c3nccnc3N(c3ccccc3C)C2C)c1.
What is the InChIKey of 3-(3,5-dimethylphenyl)-2-methyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine?
The InChIKey is VHKPASMDKKVLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4/c1-14-11-15(2)13-18(12-14)24-17(4)25(19-8-6-5-7-16(19)3)21-20(24)22-9-10-23-21/h5-13,17H,1-4H3.
What are the key properties of 3-(3,5-dimethylphenyl)-2-methyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine?
3-(3,5-dimethylphenyl)-2-methyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine has a molecular weight of 330.44 g/mol, XLogP of 5.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenyl)-2-methyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine is sourced from PubChem (CID 121403727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).