2-methyl-5-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzonitrile

C26H20N6 — CID 143908446

About 2-methyl-5-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzonitrile

2-methyl-5-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzonitrile (PubChem CID 143908446) has the molecular formula C26H20N6 and a molecular weight of 416.49 g/mol. Its IUPAC name is 2-methyl-5-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzonitrile.

Molecular Properties

• Compound Name: 2-methyl-5-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzonitrile
• PubChem CID: 143908446
• Molecular Formula: C26H20N6
• Molecular Weight: 416.49 g/mol
• Exact Mass: 416.17
• IUPAC Name: 2-methyl-5-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzonitrile
• SMILES: Cc1cccc(-c2[nH]c(Cc3ccc(C)c(C#N)c3)nc2-c2ccc3nccnc3c2)n1
• InChI: InChI=1S/C26H20N6/c1-16-6-7-18(12-20(16)15-27)13-24-31-25(26(32-24)22-5-3-4-17(2)30-22)19-8-9-21-23(14-19)29-11-10-28-21/h3-12,14H,13H2,1-2H3,(H,31,32)
• InChIKey: HYUBFHXTSWUFSS-UHFFFAOYSA-N
• XLogP: 5.16
• TPSA: 91.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	416.49
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzonitrile?

The IUPAC name of 2-methyl-5-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzonitrile (CID 143908446) is 2-methyl-5-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzonitrile.

What is the SMILES notation for 2-methyl-5-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzonitrile?

The canonical SMILES for 2-methyl-5-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzonitrile is Cc1cccc(-c2[nH]c(Cc3ccc(C)c(C#N)c3)nc2-c2ccc3nccnc3c2)n1.

What is the InChIKey of 2-methyl-5-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzonitrile?

The InChIKey is HYUBFHXTSWUFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N6/c1-16-6-7-18(12-20(16)15-27)13-24-31-25(26(32-24)22-5-3-4-17(2)30-22)19-8-9-21-23(14-19)29-11-10-28-21/h3-12,14H,13H2,1-2H3,(H,31,32).

What are the key properties of 2-methyl-5-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzonitrile?

2-methyl-5-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzonitrile has a molecular weight of 416.49 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-5-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzonitrile is sourced from PubChem (CID 143908446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).