6-methyl-2-(4-methylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazol-1-ium

C16H15N4+ — CID 58690905

IUPAC6-methyl-2-(4-methylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazol-1-ium
SMILESCc1ccc(-c2[nH]c3cc4[nH]c(C)nc4cc3[nH+]2)cc1
InChIInChI=1S/C16H14N4/c1-9-3-5-11(6-4-9)16-19-14-7-12-13(8-15(14)20-16)18-10(2)17-12/h3-8H,1-2H3,(H,17,18)(H,19,20)/p+1
InChIKeyYSBZQVTUURSOLC-UHFFFAOYSA-O
MW263.32 g/mol
LogP3.14
Rot. Bonds1

About 6-methyl-2-(4-methylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazol-1-ium

6-methyl-2-(4-methylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazol-1-ium (PubChem CID 58690905) has the molecular formula C16H15N4+ and a molecular weight of 263.32 g/mol. Its IUPAC name is 6-methyl-2-(4-methylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazol-1-ium.

Molecular Properties

Compound Name6-methyl-2-(4-methylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazol-1-ium
PubChem CID58690905
Molecular FormulaC16H15N4+
Molecular Weight263.32 g/mol
Exact Mass263.13
IUPAC Name6-methyl-2-(4-methylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazol-1-ium
SMILESCc1ccc(-c2[nH]c3cc4[nH]c(C)nc4cc3[nH+]2)cc1
InChIInChI=1S/C16H14N4/c1-9-3-5-11(6-4-9)16-19-14-7-12-13(8-15(14)20-16)18-10(2)17-12/h3-8H,1-2H3,(H,17,18)(H,19,20)/p+1
InChIKeyYSBZQVTUURSOLC-UHFFFAOYSA-O
XLogP3.14
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(4-methylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazol-1-ium?
The IUPAC name of 6-methyl-2-(4-methylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazol-1-ium (CID 58690905) is 6-methyl-2-(4-methylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazol-1-ium.
What is the SMILES notation for 6-methyl-2-(4-methylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazol-1-ium?
The canonical SMILES for 6-methyl-2-(4-methylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazol-1-ium is Cc1ccc(-c2[nH]c3cc4[nH]c(C)nc4cc3[nH+]2)cc1.
What is the InChIKey of 6-methyl-2-(4-methylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazol-1-ium?
The InChIKey is YSBZQVTUURSOLC-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H14N4/c1-9-3-5-11(6-4-9)16-19-14-7-12-13(8-15(14)20-16)18-10(2)17-12/h3-8H,1-2H3,(H,17,18)(H,19,20)/p+1.
What are the key properties of 6-methyl-2-(4-methylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazol-1-ium?
6-methyl-2-(4-methylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazol-1-ium has a molecular weight of 263.32 g/mol, XLogP of 3.14, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(4-methylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazol-1-ium is sourced from PubChem (CID 58690905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).