1-(1,6-dimethylbenzimidazol-2-yl)propan-2-one

C12H14N2O — CID 83857936

IUPAC1-(1,6-dimethylbenzimidazol-2-yl)propan-2-one
SMILESCC(=O)Cc1nc2ccc(C)cc2n1C
InChIInChI=1S/C12H14N2O/c1-8-4-5-10-11(6-8)14(3)12(13-10)7-9(2)15/h4-6H,7H2,1-3H3
InChIKeySFKDJLFNMYMVOE-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.01
Rot. Bonds2

About 1-(1,6-dimethylbenzimidazol-2-yl)propan-2-one

1-(1,6-dimethylbenzimidazol-2-yl)propan-2-one (PubChem CID 83857936) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 1-(1,6-dimethylbenzimidazol-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(1,6-dimethylbenzimidazol-2-yl)propan-2-one
PubChem CID83857936
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name1-(1,6-dimethylbenzimidazol-2-yl)propan-2-one
SMILESCC(=O)Cc1nc2ccc(C)cc2n1C
InChIInChI=1S/C12H14N2O/c1-8-4-5-10-11(6-8)14(3)12(13-10)7-9(2)15/h4-6H,7H2,1-3H3
InChIKeySFKDJLFNMYMVOE-UHFFFAOYSA-N
XLogP2.01
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-fluoro-1-methylbenzimidazol-2-yl)propan-2-one
CID 83857937
1-(1,6-dimethylbenzimidazol-2-yl)ethanone
CID 83857929
2-(1,6-dimethylbenzimidazol-2-yl)propanoic acid
CID 83849281
3-(1,6-dimethylbenzimidazol-2-yl)propanenitrile
CID 166647798
2-(6-chloro-1-methylbenzimidazol-2-yl)acetic acid
CID 83849999
2-(1,6-dimethylbenzimidazol-2-yl)-2-methylpropanoic acid
CID 83857993
4-[2-(chloromethyl)-5-methylbenzimidazol-1-yl]butan-2-one
CID 82333305
ethyl 3-methyl-2-propylbenzimidazole-5-carboxylate
CID 18681035
3-chloro-1,7-dimethylquinoxalin-2-one
CID 13437029
2,3-dimethylbenzimidazol-5-ol;1,2,6-trimethylbenzimidazole
CID 159180645
N-(1,6-dimethylbenzimidazol-2-yl)benzamide
CID 12035464
2-ethyl-3-methylbenzimidazole-5-carboxylic acid
CID 53409133

Frequently Asked Questions

What is the IUPAC name of 1-(1,6-dimethylbenzimidazol-2-yl)propan-2-one?
The IUPAC name of 1-(1,6-dimethylbenzimidazol-2-yl)propan-2-one (CID 83857936) is 1-(1,6-dimethylbenzimidazol-2-yl)propan-2-one.
What is the SMILES notation for 1-(1,6-dimethylbenzimidazol-2-yl)propan-2-one?
The canonical SMILES for 1-(1,6-dimethylbenzimidazol-2-yl)propan-2-one is CC(=O)Cc1nc2ccc(C)cc2n1C.
What is the InChIKey of 1-(1,6-dimethylbenzimidazol-2-yl)propan-2-one?
The InChIKey is SFKDJLFNMYMVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-8-4-5-10-11(6-8)14(3)12(13-10)7-9(2)15/h4-6H,7H2,1-3H3.
What are the key properties of 1-(1,6-dimethylbenzimidazol-2-yl)propan-2-one?
1-(1,6-dimethylbenzimidazol-2-yl)propan-2-one has a molecular weight of 202.26 g/mol, XLogP of 2.01, 2 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)propan-2-one is sourced from PubChem (CID 83857936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).