1-(6-bromo-2,3-dimethylbenzimidazol-5-yl)ethanone

C11H11BrN2O — CID 83902590

IUPAC1-(6-bromo-2,3-dimethylbenzimidazol-5-yl)ethanone
SMILESCC(=O)c1cc2c(cc1Br)nc(C)n2C
InChIInChI=1S/C11H11BrN2O/c1-6(15)8-4-11-10(5-9(8)12)13-7(2)14(11)3/h4-5H,1-3H3
InChIKeyPLSKBTMQZMOFAJ-UHFFFAOYSA-N
MW267.13 g/mol
LogP2.85
Rot. Bonds1

About 1-(6-bromo-2,3-dimethylbenzimidazol-5-yl)ethanone

1-(6-bromo-2,3-dimethylbenzimidazol-5-yl)ethanone (PubChem CID 83902590) has the molecular formula C11H11BrN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is 1-(6-bromo-2,3-dimethylbenzimidazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(6-bromo-2,3-dimethylbenzimidazol-5-yl)ethanone
PubChem CID83902590
Molecular FormulaC11H11BrN2O
Molecular Weight267.13 g/mol
Exact Mass266.01
IUPAC Name1-(6-bromo-2,3-dimethylbenzimidazol-5-yl)ethanone
SMILESCC(=O)c1cc2c(cc1Br)nc(C)n2C
InChIInChI=1S/C11H11BrN2O/c1-6(15)8-4-11-10(5-9(8)12)13-7(2)14(11)3/h4-5H,1-3H3
InChIKeyPLSKBTMQZMOFAJ-UHFFFAOYSA-N
XLogP2.85
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-chloro-1,2-dimethylbenzimidazol-5-yl)ethanone
CID 83890942
6-bromo-2,3-dimethylbenzimidazole-5-carbaldehyde
CID 83900678
1-[(1,2-dimethylbenzimidazol-5-yl)amino]propan-2-one
CID 115234497
3-(1,2-dimethylbenzimidazol-5-yl)-N-hydroxyprop-2-enamide
CID 72969789
6-bromo-1,2-dimethylbenzimidazole
CID 58109509
ethane;2,3,6-trimethylbenzimidazol-5-ol
CID 168977189
(1,2-dimethylbenzimidazol-5-yl) hydrogen carbonate
CID 23091994
2-chloro-1-(1,2-dimethylbenzimidazol-5-yl)ethanone
CID 39104493
methyl N-(1,2-dimethylbenzimidazol-5-yl)carbamate
CID 110779217
6-bromo-2,3-dimethylbenzimidazole-4-carboxylic acid
CID 83902984
1,2-dimethylbenzimidazole-5-thiol
CID 83529809
5,6-dimethoxy-1,2-dimethylbenzimidazole
CID 67341482

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-2,3-dimethylbenzimidazol-5-yl)ethanone?
The IUPAC name of 1-(6-bromo-2,3-dimethylbenzimidazol-5-yl)ethanone (CID 83902590) is 1-(6-bromo-2,3-dimethylbenzimidazol-5-yl)ethanone.
What is the SMILES notation for 1-(6-bromo-2,3-dimethylbenzimidazol-5-yl)ethanone?
The canonical SMILES for 1-(6-bromo-2,3-dimethylbenzimidazol-5-yl)ethanone is CC(=O)c1cc2c(cc1Br)nc(C)n2C.
What is the InChIKey of 1-(6-bromo-2,3-dimethylbenzimidazol-5-yl)ethanone?
The InChIKey is PLSKBTMQZMOFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O/c1-6(15)8-4-11-10(5-9(8)12)13-7(2)14(11)3/h4-5H,1-3H3.
What are the key properties of 1-(6-bromo-2,3-dimethylbenzimidazol-5-yl)ethanone?
1-(6-bromo-2,3-dimethylbenzimidazol-5-yl)ethanone has a molecular weight of 267.13 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-2,3-dimethylbenzimidazol-5-yl)ethanone is sourced from PubChem (CID 83902590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).