1-(1,6-dimethylbenzimidazol-2-yl)ethanone

C11H12N2O — CID 83857929

IUPAC1-(1,6-dimethylbenzimidazol-2-yl)ethanone
SMILESCC(=O)c1nc2ccc(C)cc2n1C
InChIInChI=1S/C11H12N2O/c1-7-4-5-9-10(6-7)13(3)11(12-9)8(2)14/h4-6H,1-3H3
InChIKeyWLNDVROCWVIIMW-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.08
Rot. Bonds1

About 1-(1,6-dimethylbenzimidazol-2-yl)ethanone

1-(1,6-dimethylbenzimidazol-2-yl)ethanone (PubChem CID 83857929) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 1-(1,6-dimethylbenzimidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(1,6-dimethylbenzimidazol-2-yl)ethanone
PubChem CID83857929
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name1-(1,6-dimethylbenzimidazol-2-yl)ethanone
SMILESCC(=O)c1nc2ccc(C)cc2n1C
InChIInChI=1S/C11H12N2O/c1-7-4-5-9-10(6-7)13(3)11(12-9)8(2)14/h4-6H,1-3H3
InChIKeyWLNDVROCWVIIMW-UHFFFAOYSA-N
XLogP2.08
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,6-dimethylbenzimidazol-2-yl)ethanone?
The IUPAC name of 1-(1,6-dimethylbenzimidazol-2-yl)ethanone (CID 83857929) is 1-(1,6-dimethylbenzimidazol-2-yl)ethanone.
What is the SMILES notation for 1-(1,6-dimethylbenzimidazol-2-yl)ethanone?
The canonical SMILES for 1-(1,6-dimethylbenzimidazol-2-yl)ethanone is CC(=O)c1nc2ccc(C)cc2n1C.
What is the InChIKey of 1-(1,6-dimethylbenzimidazol-2-yl)ethanone?
The InChIKey is WLNDVROCWVIIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-7-4-5-9-10(6-7)13(3)11(12-9)8(2)14/h4-6H,1-3H3.
What are the key properties of 1-(1,6-dimethylbenzimidazol-2-yl)ethanone?
1-(1,6-dimethylbenzimidazol-2-yl)ethanone has a molecular weight of 188.23 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,6-dimethylbenzimidazol-2-yl)ethanone is sourced from PubChem (CID 83857929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).