2,6-dimethyl-3H-benzo[f]benzimidazole;ethane

C15H18N2 — CID 144506658

IUPAC2,6-dimethyl-3H-benzo[f]benzimidazole;ethane
SMILESCC.Cc1ccc2cc3nc(C)[nH]c3cc2c1
InChIInChI=1S/C13H12N2.C2H6/c1-8-3-4-10-6-12-13(7-11(10)5-8)15-9(2)14-12;1-2/h3-7H,1-2H3,(H,14,15);1-2H3
InChIKeyZBKZBNSNIHZPGU-UHFFFAOYSA-N
MW226.32 g/mol
LogP4.36
Rot. Bonds

About 2,6-dimethyl-3H-benzo[f]benzimidazole;ethane

2,6-dimethyl-3H-benzo[f]benzimidazole;ethane (PubChem CID 144506658) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2,6-dimethyl-3H-benzo[f]benzimidazole;ethane.

Molecular Properties

Compound Name2,6-dimethyl-3H-benzo[f]benzimidazole;ethane
PubChem CID144506658
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name2,6-dimethyl-3H-benzo[f]benzimidazole;ethane
SMILESCC.Cc1ccc2cc3nc(C)[nH]c3cc2c1
InChIInChI=1S/C13H12N2.C2H6/c1-8-3-4-10-6-12-13(7-11(10)5-8)15-9(2)14-12;1-2/h3-7H,1-2H3,(H,14,15);1-2H3
InChIKeyZBKZBNSNIHZPGU-UHFFFAOYSA-N
XLogP4.36
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-ethyl-2-methyl-3H-benzo[f]benzimidazole
CID 90182012
bis(2,6-dimethyl-3H-benzo[f]benzimidazole);bis(2,8-dimethyl-4,5-dihydro-3H-[1]benzoxepino[4,5-d]imidazole)
CID 157252523
2,9-dimethylpentacene
CID 11460950
6-methyl-2-(4-methylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazol-1-ium
CID 58690905
ethane;bis(2-methyl-6-[2-(3-methylphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole);bis(2-methyl-6-[2-(4-methylphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole)
CID 158043672
ethane;6-fluoro-2-methyl-1H-benzimidazole
CID 142961640
2-methyl-6-(4-methylphenyl)sulfanyl-1H-benzimidazole
CID 170127062
2-methyl-6-(6-methylnaphthalen-2-yl)anthracene
CID 140780842
2-methyl-6-(4-phenylphenyl)-1H-benzimidazole
CID 175938016
2-methyl-3H-benzimidazole-5-thiol
CID 43154899
2,6-bis(4-methylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazole
CID 59482293
2-methyl-6-(4-methylphenyl)-1,7-dihydropyrrolo[2,3-f]benzimidazole;sulfur trioxide
CID 162111228

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3H-benzo[f]benzimidazole;ethane?
The IUPAC name of 2,6-dimethyl-3H-benzo[f]benzimidazole;ethane (CID 144506658) is 2,6-dimethyl-3H-benzo[f]benzimidazole;ethane.
What is the SMILES notation for 2,6-dimethyl-3H-benzo[f]benzimidazole;ethane?
The canonical SMILES for 2,6-dimethyl-3H-benzo[f]benzimidazole;ethane is CC.Cc1ccc2cc3nc(C)[nH]c3cc2c1.
What is the InChIKey of 2,6-dimethyl-3H-benzo[f]benzimidazole;ethane?
The InChIKey is ZBKZBNSNIHZPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2.C2H6/c1-8-3-4-10-6-12-13(7-11(10)5-8)15-9(2)14-12;1-2/h3-7H,1-2H3,(H,14,15);1-2H3.
What are the key properties of 2,6-dimethyl-3H-benzo[f]benzimidazole;ethane?
2,6-dimethyl-3H-benzo[f]benzimidazole;ethane has a molecular weight of 226.32 g/mol, XLogP of 4.36, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3H-benzo[f]benzimidazole;ethane is sourced from PubChem (CID 144506658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).