2-(benzimidazol-1-yl)ethyl-hydroxy-dimethylazanium

C11H16N3O+ — CID 123566013

IUPAC2-(benzimidazol-1-yl)ethyl-hydroxy-dimethylazanium
SMILESC[N+](C)(O)CCn1cnc2ccccc21
InChIInChI=1S/C11H16N3O/c1-14(2,15)8-7-13-9-12-10-5-3-4-6-11(10)13/h3-6,9,15H,7-8H2,1-2H3/q+1
InChIKeyWQPVGTZBYRQBGU-UHFFFAOYSA-N
MW206.27 g/mol
LogP1.50
Rot. Bonds3

About 2-(benzimidazol-1-yl)ethyl-hydroxy-dimethylazanium

2-(benzimidazol-1-yl)ethyl-hydroxy-dimethylazanium (PubChem CID 123566013) has the molecular formula C11H16N3O+ and a molecular weight of 206.27 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)ethyl-hydroxy-dimethylazanium.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)ethyl-hydroxy-dimethylazanium
PubChem CID123566013
Molecular FormulaC11H16N3O+
Molecular Weight206.27 g/mol
Exact Mass206.13
IUPAC Name2-(benzimidazol-1-yl)ethyl-hydroxy-dimethylazanium
SMILESC[N+](C)(O)CCn1cnc2ccccc21
InChIInChI=1S/C11H16N3O/c1-14(2,15)8-7-13-9-12-10-5-3-4-6-11(10)13/h3-6,9,15H,7-8H2,1-2H3/q+1
InChIKeyWQPVGTZBYRQBGU-UHFFFAOYSA-N
XLogP1.50
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

1-(benzimidazol-1-yl)propan-2-ol
CID 22504258
bis(1-butylbenzimidazole);ethane
CID 142164287
1-[2-[2-(benzimidazol-1-yl)ethoxy]ethyl]benzimidazole
CID 5190432
1-[(E)-pent-3-enyl]benzimidazole
CID 135077117
(NE)-N-[4-(benzimidazol-1-yl)butan-2-ylidene]hydroxylamine
CID 13267878
1-[2-[2-[2-(benzimidazol-1-yl)ethoxy]ethoxy]ethyl]benzimidazole
CID 2871878
1-(benzimidazol-1-yl)butan-2-ol
CID 53276318
2-(benzimidazol-1-yl)ethanesulfonyl fluoride
CID 4107358
1-(2-phenylethyl)benzimidazole;hydrochloride
CID 54604941
1-(6-chlorohexyl)benzimidazole
CID 62228178
1-[3-[3-(benzimidazol-1-yl)propyldisulfanyl]propyl]benzimidazole
CID 159358672
3-(benzimidazol-1-yl)propyl-trichlorosilane
CID 59630441

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)ethyl-hydroxy-dimethylazanium?
The IUPAC name of 2-(benzimidazol-1-yl)ethyl-hydroxy-dimethylazanium (CID 123566013) is 2-(benzimidazol-1-yl)ethyl-hydroxy-dimethylazanium.
What is the SMILES notation for 2-(benzimidazol-1-yl)ethyl-hydroxy-dimethylazanium?
The canonical SMILES for 2-(benzimidazol-1-yl)ethyl-hydroxy-dimethylazanium is C[N+](C)(O)CCn1cnc2ccccc21.
What is the InChIKey of 2-(benzimidazol-1-yl)ethyl-hydroxy-dimethylazanium?
The InChIKey is WQPVGTZBYRQBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N3O/c1-14(2,15)8-7-13-9-12-10-5-3-4-6-11(10)13/h3-6,9,15H,7-8H2,1-2H3/q+1.
What are the key properties of 2-(benzimidazol-1-yl)ethyl-hydroxy-dimethylazanium?
2-(benzimidazol-1-yl)ethyl-hydroxy-dimethylazanium has a molecular weight of 206.27 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)ethyl-hydroxy-dimethylazanium is sourced from PubChem (CID 123566013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).