1-(6-chlorohexyl)benzimidazole

C13H17ClN2 — CID 62228178

IUPAC1-(6-chlorohexyl)benzimidazole
SMILESClCCCCCCn1cnc2ccccc21
InChIInChI=1S/C13H17ClN2/c14-9-5-1-2-6-10-16-11-15-12-7-3-4-8-13(12)16/h3-4,7-8,11H,1-2,5-6,9-10H2
InChIKeyXLKUJAJTZWRETJ-UHFFFAOYSA-N
MW236.75 g/mol
LogP3.84
Rot. Bonds6

About 1-(6-chlorohexyl)benzimidazole

1-(6-chlorohexyl)benzimidazole (PubChem CID 62228178) has the molecular formula C13H17ClN2 and a molecular weight of 236.75 g/mol. Its IUPAC name is 1-(6-chlorohexyl)benzimidazole.

Molecular Properties

Compound Name1-(6-chlorohexyl)benzimidazole
PubChem CID62228178
Molecular FormulaC13H17ClN2
Molecular Weight236.75 g/mol
Exact Mass236.11
IUPAC Name1-(6-chlorohexyl)benzimidazole
SMILESClCCCCCCn1cnc2ccccc21
InChIInChI=1S/C13H17ClN2/c14-9-5-1-2-6-10-16-11-15-12-7-3-4-8-13(12)16/h3-4,7-8,11H,1-2,5-6,9-10H2
InChIKeyXLKUJAJTZWRETJ-UHFFFAOYSA-N
XLogP3.84
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.75
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(18-phenyloctadecyl)benzimidazole
CID 67925718
3-(benzimidazol-1-yl)propyl-trichlorosilane
CID 59630441
6-(benzimidazol-1-yl)hexane-1-sulfonic acid
CID 18415223
1-[3-[3-(benzimidazol-1-yl)propyldisulfanyl]propyl]benzimidazole
CID 159358672
bis(1-butylbenzimidazole);ethane
CID 142164287
N-[3-(benzimidazol-1-yl)propyl]-4-chlorobutanamide
CID 63308679
1-[2-[2-(benzimidazol-1-yl)ethoxy]ethyl]benzimidazole
CID 5190432
1-(3-ethylsulfanylpropyl)benzimidazole
CID 115650886
1-[4-(2-methoxyphenoxy)butyl]benzimidazole
CID 16994969
1-[2-[2-[2-(benzimidazol-1-yl)ethoxy]ethoxy]ethyl]benzimidazole
CID 2871878
1-[3-(4-chlorophenyl)sulfanylpropyl]benzimidazole
CID 2966362
1-[4-(2-bromophenoxy)butyl]benzimidazole;hydrochloride
CID 2965821

Frequently Asked Questions

What is the IUPAC name of 1-(6-chlorohexyl)benzimidazole?
The IUPAC name of 1-(6-chlorohexyl)benzimidazole (CID 62228178) is 1-(6-chlorohexyl)benzimidazole.
What is the SMILES notation for 1-(6-chlorohexyl)benzimidazole?
The canonical SMILES for 1-(6-chlorohexyl)benzimidazole is ClCCCCCCn1cnc2ccccc21.
What is the InChIKey of 1-(6-chlorohexyl)benzimidazole?
The InChIKey is XLKUJAJTZWRETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2/c14-9-5-1-2-6-10-16-11-15-12-7-3-4-8-13(12)16/h3-4,7-8,11H,1-2,5-6,9-10H2.
What are the key properties of 1-(6-chlorohexyl)benzimidazole?
1-(6-chlorohexyl)benzimidazole has a molecular weight of 236.75 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chlorohexyl)benzimidazole is sourced from PubChem (CID 62228178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).