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

C27H26N6 — CID 159562702

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

N-methyl-1-(2-methylphenyl)-N-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]methanamine (PubChem CID 159562702) has the molecular formula C27H26N6 and a molecular weight of 434.55 g/mol. Its IUPAC name is N-methyl-1-(2-methylphenyl)-N-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]methanamine.

Molecular Properties

• Compound Name: N-methyl-1-(2-methylphenyl)-N-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]methanamine
• PubChem CID: 159562702
• Molecular Formula: C27H26N6
• Molecular Weight: 434.55 g/mol
• Exact Mass: 434.22
• IUPAC Name: N-methyl-1-(2-methylphenyl)-N-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]methanamine
• SMILES: Cc1cccc(-c2[nH]c(CN(C)Cc3ccccc3C)nc2-c2ccc3nccnc3c2)n1
• InChI: InChI=1S/C27H26N6/c1-18-7-4-5-9-21(18)16-33(3)17-25-31-26(27(32-25)23-10-6-8-19(2)30-23)20-11-12-22-24(15-20)29-14-13-28-22/h4-15H,16-17H2,1-3H3,(H,31,32)
• InChIKey: MGUYIOFJDOLCCN-UHFFFAOYSA-N
• XLogP: 5.33
• TPSA: 70.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	434.55
LogP ≤ 5	5.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-methyl-1-(2-methylphenyl)-N-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]methanamine (CID 159562702) is N-methyl-1-(2-methylphenyl)-N-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]methanamine.

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

The canonical SMILES for N-methyl-1-(2-methylphenyl)-N-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]methanamine is Cc1cccc(-c2[nH]c(CN(C)Cc3ccccc3C)nc2-c2ccc3nccnc3c2)n1.

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

The InChIKey is MGUYIOFJDOLCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6/c1-18-7-4-5-9-21(18)16-33(3)17-25-31-26(27(32-25)23-10-6-8-19(2)30-23)20-11-12-22-24(15-20)29-14-13-28-22/h4-15H,16-17H2,1-3H3,(H,31,32).

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

N-methyl-1-(2-methylphenyl)-N-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]methanamine has a molecular weight of 434.55 g/mol, XLogP of 5.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-1-(2-methylphenyl)-N-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]methanamine is sourced from PubChem (CID 159562702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).