2-(5-bromo-1-ethylbenzimidazol-2-yl)acetonitrile

C11H10BrN3 — CID 82332810

IUPAC2-(5-bromo-1-ethylbenzimidazol-2-yl)acetonitrile
SMILESCCn1c(CC#N)nc2cc(Br)ccc21
InChIInChI=1S/C11H10BrN3/c1-2-15-10-4-3-8(12)7-9(10)14-11(15)5-6-13/h3-4,7H,2,5H2,1H3
InChIKeyILVZDQOVPFXOCD-UHFFFAOYSA-N
MW264.13 g/mol
LogP2.88
Rot. Bonds2

About 2-(5-bromo-1-ethylbenzimidazol-2-yl)acetonitrile

2-(5-bromo-1-ethylbenzimidazol-2-yl)acetonitrile (PubChem CID 82332810) has the molecular formula C11H10BrN3 and a molecular weight of 264.13 g/mol. Its IUPAC name is 2-(5-bromo-1-ethylbenzimidazol-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(5-bromo-1-ethylbenzimidazol-2-yl)acetonitrile
PubChem CID82332810
Molecular FormulaC11H10BrN3
Molecular Weight264.13 g/mol
Exact Mass263.01
IUPAC Name2-(5-bromo-1-ethylbenzimidazol-2-yl)acetonitrile
SMILESCCn1c(CC#N)nc2cc(Br)ccc21
InChIInChI=1S/C11H10BrN3/c1-2-15-10-4-3-8(12)7-9(10)14-11(15)5-6-13/h3-4,7H,2,5H2,1H3
InChIKeyILVZDQOVPFXOCD-UHFFFAOYSA-N
XLogP2.88
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.13
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,5-diethylbenzimidazol-2-yl)acetonitrile
CID 82333726
4-(5-bromo-1-ethylbenzimidazol-2-yl)-2-methylbutan-2-amine
CID 62047954
1-(5-bromo-1-ethylbenzimidazol-2-yl)-N-ethylpropan-2-amine
CID 62828331
N-[(5-bromo-1-ethylbenzimidazol-2-yl)methyl]-4-chloroaniline
CID 60837375
N-[2-(5-bromo-1-ethylbenzimidazol-2-yl)ethyl]cyclopropanamine
CID 54924007
5-bromo-1-ethylbenzimidazole-2-carbaldehyde
CID 63772017
5-bromo-1,2-bis(2,2-dimethylpropyl)benzimidazole
CID 90864285
2-(5-bromo-2-ethylbenzimidazol-1-yl)ethanamine
CID 84808266
1-(5-bromo-1-ethylbenzimidazol-2-yl)ethanol
CID 63023634
2-[5-methyl-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]acetonitrile
CID 82333203
2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]acetonitrile
CID 63638416
5-bromo-2-ethyl-1-methylbenzimidazole
CID 84701099

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1-ethylbenzimidazol-2-yl)acetonitrile?
The IUPAC name of 2-(5-bromo-1-ethylbenzimidazol-2-yl)acetonitrile (CID 82332810) is 2-(5-bromo-1-ethylbenzimidazol-2-yl)acetonitrile.
What is the SMILES notation for 2-(5-bromo-1-ethylbenzimidazol-2-yl)acetonitrile?
The canonical SMILES for 2-(5-bromo-1-ethylbenzimidazol-2-yl)acetonitrile is CCn1c(CC#N)nc2cc(Br)ccc21.
What is the InChIKey of 2-(5-bromo-1-ethylbenzimidazol-2-yl)acetonitrile?
The InChIKey is ILVZDQOVPFXOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3/c1-2-15-10-4-3-8(12)7-9(10)14-11(15)5-6-13/h3-4,7H,2,5H2,1H3.
What are the key properties of 2-(5-bromo-1-ethylbenzimidazol-2-yl)acetonitrile?
2-(5-bromo-1-ethylbenzimidazol-2-yl)acetonitrile has a molecular weight of 264.13 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1-ethylbenzimidazol-2-yl)acetonitrile is sourced from PubChem (CID 82332810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).