2-(7-bromo-1,5-dimethylbenzimidazol-2-yl)acetonitrile

C11H10BrN3 — CID 84639418

IUPAC2-(7-bromo-1,5-dimethylbenzimidazol-2-yl)acetonitrile
SMILESCc1cc(Br)c2c(c1)nc(CC#N)n2C
InChIInChI=1S/C11H10BrN3/c1-7-5-8(12)11-9(6-7)14-10(3-4-13)15(11)2/h5-6H,3H2,1-2H3
InChIKeyFXNIJAZUUPOBFE-UHFFFAOYSA-N
MW264.13 g/mol
LogP2.71
Rot. Bonds1

About 2-(7-bromo-1,5-dimethylbenzimidazol-2-yl)acetonitrile

2-(7-bromo-1,5-dimethylbenzimidazol-2-yl)acetonitrile (PubChem CID 84639418) has the molecular formula C11H10BrN3 and a molecular weight of 264.13 g/mol. Its IUPAC name is 2-(7-bromo-1,5-dimethylbenzimidazol-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(7-bromo-1,5-dimethylbenzimidazol-2-yl)acetonitrile
PubChem CID84639418
Molecular FormulaC11H10BrN3
Molecular Weight264.13 g/mol
Exact Mass263.01
IUPAC Name2-(7-bromo-1,5-dimethylbenzimidazol-2-yl)acetonitrile
SMILESCc1cc(Br)c2c(c1)nc(CC#N)n2C
InChIInChI=1S/C11H10BrN3/c1-7-5-8(12)11-9(6-7)14-10(3-4-13)15(11)2/h5-6H,3H2,1-2H3
InChIKeyFXNIJAZUUPOBFE-UHFFFAOYSA-N
XLogP2.71
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.13
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,5,7-trimethylbenzimidazol-2-yl)acetonitrile
CID 84619631
3-(7-bromo-1,5-dimethylbenzimidazol-2-yl)propanoic acid
CID 84644355
7-bromo-1,5-dimethyl-2-(piperazin-1-ylmethyl)benzimidazole
CID 84646092
2-(7-bromo-1,5-dimethylbenzimidazol-2-yl)propan-2-amine
CID 84642998
7-bromo-2-ethyl-1-methylbenzimidazol-5-amine
CID 82381674
2-(cyanomethyl)-1-methylimidazo[4,5-c]quinoline-8-carbonitrile
CID 166795351
2-(5-fluoro-1-methylbenzimidazol-2-yl)acetonitrile
CID 82332311
2-(8-bromo-6-methylimidazo[1,2-a]pyridin-2-yl)acetonitrile
CID 82530872
2-[5-methyl-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]acetonitrile
CID 82333203
2-(5-bromo-1-ethylbenzimidazol-2-yl)acetonitrile
CID 82332810
2-(2-bromo-6-methoxy-4-methylphenyl)acetonitrile
CID 84800310
7-bromo-1-ethyl-5-methylbenzimidazole;ethane
CID 177146830

Frequently Asked Questions

What is the IUPAC name of 2-(7-bromo-1,5-dimethylbenzimidazol-2-yl)acetonitrile?
The IUPAC name of 2-(7-bromo-1,5-dimethylbenzimidazol-2-yl)acetonitrile (CID 84639418) is 2-(7-bromo-1,5-dimethylbenzimidazol-2-yl)acetonitrile.
What is the SMILES notation for 2-(7-bromo-1,5-dimethylbenzimidazol-2-yl)acetonitrile?
The canonical SMILES for 2-(7-bromo-1,5-dimethylbenzimidazol-2-yl)acetonitrile is Cc1cc(Br)c2c(c1)nc(CC#N)n2C.
What is the InChIKey of 2-(7-bromo-1,5-dimethylbenzimidazol-2-yl)acetonitrile?
The InChIKey is FXNIJAZUUPOBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3/c1-7-5-8(12)11-9(6-7)14-10(3-4-13)15(11)2/h5-6H,3H2,1-2H3.
What are the key properties of 2-(7-bromo-1,5-dimethylbenzimidazol-2-yl)acetonitrile?
2-(7-bromo-1,5-dimethylbenzimidazol-2-yl)acetonitrile has a molecular weight of 264.13 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bromo-1,5-dimethylbenzimidazol-2-yl)acetonitrile is sourced from PubChem (CID 84639418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).