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

C27H24N4O — CID 134371464

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

(2R)-1-(3,5-dimethylphenyl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazo[4,5-b]pyrazine (PubChem CID 134371464) has the molecular formula C27H24N4O and a molecular weight of 420.52 g/mol. Its IUPAC name is (2R)-1-(3,5-dimethylphenyl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazo[4,5-b]pyrazine.

Molecular Properties

• Compound Name: (2R)-1-(3,5-dimethylphenyl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazo[4,5-b]pyrazine
• PubChem CID: 134371464
• Molecular Formula: C27H24N4O
• Molecular Weight: 420.52 g/mol
• Exact Mass: 420.20
• IUPAC Name: (2R)-1-(3,5-dimethylphenyl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazo[4,5-b]pyrazine
• SMILES: Cc1cc(C)cc(N2c3nccnc3N(c3c(C)ccc4c3oc3ccccc34)[C@@H]2C)c1
• InChI: InChI=1S/C27H24N4O/c1-16-13-17(2)15-20(14-16)30-19(4)31(27-26(30)28-11-12-29-27)24-18(3)9-10-22-21-7-5-6-8-23(21)32-25(22)24/h5-15,19H,1-4H3/t19-/m1/s1
• InChIKey: YJNZYFNGKHXLBG-LJQANCHMSA-N
• XLogP: 6.94
• TPSA: 45.40 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	420.52
LogP ≤ 5	6.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3,5-dimethylphenyl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazo[4,5-b]pyrazine?

The IUPAC name of (2R)-1-(3,5-dimethylphenyl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazo[4,5-b]pyrazine (CID 134371464) is (2R)-1-(3,5-dimethylphenyl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazo[4,5-b]pyrazine.

What is the SMILES notation for (2R)-1-(3,5-dimethylphenyl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazo[4,5-b]pyrazine?

The canonical SMILES for (2R)-1-(3,5-dimethylphenyl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazo[4,5-b]pyrazine is Cc1cc(C)cc(N2c3nccnc3N(c3c(C)ccc4c3oc3ccccc34)[C@@H]2C)c1.

What is the InChIKey of (2R)-1-(3,5-dimethylphenyl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazo[4,5-b]pyrazine?

The InChIKey is YJNZYFNGKHXLBG-LJQANCHMSA-N. The full InChI is InChI=1S/C27H24N4O/c1-16-13-17(2)15-20(14-16)30-19(4)31(27-26(30)28-11-12-29-27)24-18(3)9-10-22-21-7-5-6-8-23(21)32-25(22)24/h5-15,19H,1-4H3/t19-/m1/s1.

What are the key properties of (2R)-1-(3,5-dimethylphenyl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazo[4,5-b]pyrazine?

(2R)-1-(3,5-dimethylphenyl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazo[4,5-b]pyrazine has a molecular weight of 420.52 g/mol, XLogP of 6.94, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-(3,5-dimethylphenyl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazo[4,5-b]pyrazine is sourced from PubChem (CID 134371464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).