6-methyl-2-(5-methyl-3-pyridinyl)-3,5-dihydroimidazo[4,5-f]benzimidazole;6-methyl-2-(6-methylpyrimidin-4-yl)-3,5-dihydroimidazo[4,5-f]benzimidazole

C29H25N11 — CID 90906999

About 6-methyl-2-(5-methyl-3-pyridinyl)-3,5-dihydroimidazo[4,5-f]benzimidazole;6-methyl-2-(6-methylpyrimidin-4-yl)-3,5-dihydroimidazo[4,5-f]benzimidazole

6-methyl-2-(5-methyl-3-pyridinyl)-3,5-dihydroimidazo[4,5-f]benzimidazole;6-methyl-2-(6-methylpyrimidin-4-yl)-3,5-dihydroimidazo[4,5-f]benzimidazole (PubChem CID 90906999) has the molecular formula C29H25N11 and a molecular weight of 527.60 g/mol. Its IUPAC name is 6-methyl-2-(5-methyl-3-pyridinyl)-3,5-dihydroimidazo[4,5-f]benzimidazole;6-methyl-2-(6-methylpyrimidin-4-yl)-3,5-dihydroimidazo[4,5-f]benzimidazole.

Molecular Properties

• Compound Name: 6-methyl-2-(5-methyl-3-pyridinyl)-3,5-dihydroimidazo[4,5-f]benzimidazole;6-methyl-2-(6-methylpyrimidin-4-yl)-3,5-dihydroimidazo[4,5-f]benzimidazole
• PubChem CID: 90906999
• Molecular Formula: C29H25N11
• Molecular Weight: 527.60 g/mol
• Exact Mass: 527.23
• IUPAC Name: 6-methyl-2-(5-methyl-3-pyridinyl)-3,5-dihydroimidazo[4,5-f]benzimidazole;6-methyl-2-(6-methylpyrimidin-4-yl)-3,5-dihydroimidazo[4,5-f]benzimidazole
• SMILES: Cc1cc(-c2nc3cc4nc(C)[nH]c4cc3[nH]2)ncn1.Cc1cncc(-c2nc3cc4nc(C)[nH]c4cc3[nH]2)c1
• InChI: InChI=1S/C15H13N5.C14H12N6/c1-8-3-10(7-16-6-8)15-19-13-4-11-12(5-14(13)20-15)18-9(2)17-11;1-7-3-13(16-6-15-7)14-19-11-4-9-10(5-12(11)20-14)18-8(2)17-9/h3-7H,1-2H3,(H,17,18)(H,19,20);3-6H,1-2H3,(H,17,18)(H,19,20)
• InChIKey: HZZYWWVBPSRAGU-UHFFFAOYSA-N
• XLogP: 5.63
• TPSA: 153.39 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	527.60
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(5-methyl-3-pyridinyl)-3,5-dihydroimidazo[4,5-f]benzimidazole;6-methyl-2-(6-methylpyrimidin-4-yl)-3,5-dihydroimidazo[4,5-f]benzimidazole?

The IUPAC name of 6-methyl-2-(5-methyl-3-pyridinyl)-3,5-dihydroimidazo[4,5-f]benzimidazole;6-methyl-2-(6-methylpyrimidin-4-yl)-3,5-dihydroimidazo[4,5-f]benzimidazole (CID 90906999) is 6-methyl-2-(5-methyl-3-pyridinyl)-3,5-dihydroimidazo[4,5-f]benzimidazole;6-methyl-2-(6-methylpyrimidin-4-yl)-3,5-dihydroimidazo[4,5-f]benzimidazole.

What is the SMILES notation for 6-methyl-2-(5-methyl-3-pyridinyl)-3,5-dihydroimidazo[4,5-f]benzimidazole;6-methyl-2-(6-methylpyrimidin-4-yl)-3,5-dihydroimidazo[4,5-f]benzimidazole?

The canonical SMILES for 6-methyl-2-(5-methyl-3-pyridinyl)-3,5-dihydroimidazo[4,5-f]benzimidazole;6-methyl-2-(6-methylpyrimidin-4-yl)-3,5-dihydroimidazo[4,5-f]benzimidazole is Cc1cc(-c2nc3cc4nc(C)[nH]c4cc3[nH]2)ncn1.Cc1cncc(-c2nc3cc4nc(C)[nH]c4cc3[nH]2)c1.

What is the InChIKey of 6-methyl-2-(5-methyl-3-pyridinyl)-3,5-dihydroimidazo[4,5-f]benzimidazole;6-methyl-2-(6-methylpyrimidin-4-yl)-3,5-dihydroimidazo[4,5-f]benzimidazole?

The InChIKey is HZZYWWVBPSRAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5.C14H12N6/c1-8-3-10(7-16-6-8)15-19-13-4-11-12(5-14(13)20-15)18-9(2)17-11;1-7-3-13(16-6-15-7)14-19-11-4-9-10(5-12(11)20-14)18-8(2)17-9/h3-7H,1-2H3,(H,17,18)(H,19,20);3-6H,1-2H3,(H,17,18)(H,19,20).

What are the key properties of 6-methyl-2-(5-methyl-3-pyridinyl)-3,5-dihydroimidazo[4,5-f]benzimidazole;6-methyl-2-(6-methylpyrimidin-4-yl)-3,5-dihydroimidazo[4,5-f]benzimidazole?

6-methyl-2-(5-methyl-3-pyridinyl)-3,5-dihydroimidazo[4,5-f]benzimidazole;6-methyl-2-(6-methylpyrimidin-4-yl)-3,5-dihydroimidazo[4,5-f]benzimidazole has a molecular weight of 527.60 g/mol, XLogP of 5.63, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-2-(5-methyl-3-pyridinyl)-3,5-dihydroimidazo[4,5-f]benzimidazole;6-methyl-2-(6-methylpyrimidin-4-yl)-3,5-dihydroimidazo[4,5-f]benzimidazole is sourced from PubChem (CID 90906999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).