1-[4-(2-bromophenoxy)butyl]benzimidazole;hydrochloride

C17H18BrClN2O — CID 2965821

IUPAC1-[4-(2-bromophenoxy)butyl]benzimidazole;hydrochloride
SMILESBrc1ccccc1OCCCCn1cnc2ccccc21.Cl
InChIInChI=1S/C17H17BrN2O.ClH/c18-14-7-1-4-10-17(14)21-12-6-5-11-20-13-19-15-8-2-3-9-16(15)20;/h1-4,7-10,13H,5-6,11-12H2;1H
InChIKeyWRSQADIKAFLZAB-UHFFFAOYSA-N
MW381.70 g/mol
LogP5.08
Rot. Bonds6

About 1-[4-(2-bromophenoxy)butyl]benzimidazole;hydrochloride

1-[4-(2-bromophenoxy)butyl]benzimidazole;hydrochloride (PubChem CID 2965821) has the molecular formula C17H18BrClN2O and a molecular weight of 381.70 g/mol. Its IUPAC name is 1-[4-(2-bromophenoxy)butyl]benzimidazole;hydrochloride.

Molecular Properties

Compound Name1-[4-(2-bromophenoxy)butyl]benzimidazole;hydrochloride
PubChem CID2965821
Molecular FormulaC17H18BrClN2O
Molecular Weight381.70 g/mol
Exact Mass380.03
IUPAC Name1-[4-(2-bromophenoxy)butyl]benzimidazole;hydrochloride
SMILESBrc1ccccc1OCCCCn1cnc2ccccc21.Cl
InChIInChI=1S/C17H17BrN2O.ClH/c18-14-7-1-4-10-17(14)21-12-6-5-11-20-13-19-15-8-2-3-9-16(15)20;/h1-4,7-10,13H,5-6,11-12H2;1H
InChIKeyWRSQADIKAFLZAB-UHFFFAOYSA-N
XLogP5.08
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.70
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(2-methoxyphenoxy)butyl]benzimidazole
CID 16994969
1-(6-chlorohexyl)benzimidazole
CID 62228178
1-[2-(4-bromo-2-chlorophenoxy)ethyl]benzimidazole
CID 1262324
1-[2-[2-(benzimidazol-1-yl)ethoxy]ethyl]benzimidazole
CID 5190432
1-[4-(4-ethylphenoxy)butyl]benzimidazole
CID 16994975
1-[2-[2-[2-(benzimidazol-1-yl)ethoxy]ethoxy]ethyl]benzimidazole
CID 2871878
1-[4-(2,4-dimethylphenoxy)butyl]benzimidazole;oxalic acid
CID 2949443
bis(1-butylbenzimidazole);ethane
CID 142164287
1-[3-[3-(benzimidazol-1-yl)propyldisulfanyl]propyl]benzimidazole
CID 159358672
1-(18-phenyloctadecyl)benzimidazole
CID 67925718
3-(benzimidazol-1-yl)propyl-trichlorosilane
CID 59630441
1-[2-[2-(benzimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine
CID 62446861

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-bromophenoxy)butyl]benzimidazole;hydrochloride?
The IUPAC name of 1-[4-(2-bromophenoxy)butyl]benzimidazole;hydrochloride (CID 2965821) is 1-[4-(2-bromophenoxy)butyl]benzimidazole;hydrochloride.
What is the SMILES notation for 1-[4-(2-bromophenoxy)butyl]benzimidazole;hydrochloride?
The canonical SMILES for 1-[4-(2-bromophenoxy)butyl]benzimidazole;hydrochloride is Brc1ccccc1OCCCCn1cnc2ccccc21.Cl.
What is the InChIKey of 1-[4-(2-bromophenoxy)butyl]benzimidazole;hydrochloride?
The InChIKey is WRSQADIKAFLZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O.ClH/c18-14-7-1-4-10-17(14)21-12-6-5-11-20-13-19-15-8-2-3-9-16(15)20;/h1-4,7-10,13H,5-6,11-12H2;1H.
What are the key properties of 1-[4-(2-bromophenoxy)butyl]benzimidazole;hydrochloride?
1-[4-(2-bromophenoxy)butyl]benzimidazole;hydrochloride has a molecular weight of 381.70 g/mol, XLogP of 5.08, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-bromophenoxy)butyl]benzimidazole;hydrochloride is sourced from PubChem (CID 2965821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).