2,6-dimethyl-4,9-dihydro-3H-benzo[f]benzimidazole

C13H14N2 — CID 89032192

IUPAC2,6-dimethyl-4,9-dihydro-3H-benzo[f]benzimidazole
SMILESCc1ccc2c(c1)Cc1[nH]c(C)nc1C2
InChIInChI=1S/C13H14N2/c1-8-3-4-10-6-12-13(7-11(10)5-8)15-9(2)14-12/h3-5H,6-7H2,1-2H3,(H,14,15)
InChIKeyJHUYDJNWNJCAJP-UHFFFAOYSA-N
MW198.27 g/mol
LogP2.52
Rot. Bonds

About 2,6-dimethyl-4,9-dihydro-3H-benzo[f]benzimidazole

2,6-dimethyl-4,9-dihydro-3H-benzo[f]benzimidazole (PubChem CID 89032192) has the molecular formula C13H14N2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 2,6-dimethyl-4,9-dihydro-3H-benzo[f]benzimidazole.

Molecular Properties

Compound Name2,6-dimethyl-4,9-dihydro-3H-benzo[f]benzimidazole
PubChem CID89032192
Molecular FormulaC13H14N2
Molecular Weight198.27 g/mol
Exact Mass198.12
IUPAC Name2,6-dimethyl-4,9-dihydro-3H-benzo[f]benzimidazole
SMILESCc1ccc2c(c1)Cc1[nH]c(C)nc1C2
InChIInChI=1S/C13H14N2/c1-8-3-4-10-6-12-13(7-11(10)5-8)15-9(2)14-12/h3-5H,6-7H2,1-2H3,(H,14,15)
InChIKeyJHUYDJNWNJCAJP-UHFFFAOYSA-N
XLogP2.52
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4,9-dihydro-3H-benzo[f]benzimidazole?
The IUPAC name of 2,6-dimethyl-4,9-dihydro-3H-benzo[f]benzimidazole (CID 89032192) is 2,6-dimethyl-4,9-dihydro-3H-benzo[f]benzimidazole.
What is the SMILES notation for 2,6-dimethyl-4,9-dihydro-3H-benzo[f]benzimidazole?
The canonical SMILES for 2,6-dimethyl-4,9-dihydro-3H-benzo[f]benzimidazole is Cc1ccc2c(c1)Cc1[nH]c(C)nc1C2.
What is the InChIKey of 2,6-dimethyl-4,9-dihydro-3H-benzo[f]benzimidazole?
The InChIKey is JHUYDJNWNJCAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2/c1-8-3-4-10-6-12-13(7-11(10)5-8)15-9(2)14-12/h3-5H,6-7H2,1-2H3,(H,14,15).
What are the key properties of 2,6-dimethyl-4,9-dihydro-3H-benzo[f]benzimidazole?
2,6-dimethyl-4,9-dihydro-3H-benzo[f]benzimidazole has a molecular weight of 198.27 g/mol, XLogP of 2.52, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4,9-dihydro-3H-benzo[f]benzimidazole is sourced from PubChem (CID 89032192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).