5-bromo-2-(2-chloroethyl)-1-(2-ethylhexyl)benzimidazole

C17H24BrClN2 — CID 107817166

IUPAC5-bromo-2-(2-chloroethyl)-1-(2-ethylhexyl)benzimidazole
SMILESCCCCC(CC)Cn1c(CCCl)nc2cc(Br)ccc21
InChIInChI=1S/C17H24BrClN2/c1-3-5-6-13(4-2)12-21-16-8-7-14(18)11-15(16)20-17(21)9-10-19/h7-8,11,13H,3-6,9-10,12H2,1-2H3
InChIKeyGQZMJIRPHGKMHA-UHFFFAOYSA-N
MW371.75 g/mol
LogP5.80
Rot. Bonds8

About 5-bromo-2-(2-chloroethyl)-1-(2-ethylhexyl)benzimidazole

5-bromo-2-(2-chloroethyl)-1-(2-ethylhexyl)benzimidazole (PubChem CID 107817166) has the molecular formula C17H24BrClN2 and a molecular weight of 371.75 g/mol. Its IUPAC name is 5-bromo-2-(2-chloroethyl)-1-(2-ethylhexyl)benzimidazole.

Molecular Properties

Compound Name5-bromo-2-(2-chloroethyl)-1-(2-ethylhexyl)benzimidazole
PubChem CID107817166
Molecular FormulaC17H24BrClN2
Molecular Weight371.75 g/mol
Exact Mass370.08
IUPAC Name5-bromo-2-(2-chloroethyl)-1-(2-ethylhexyl)benzimidazole
SMILESCCCCC(CC)Cn1c(CCCl)nc2cc(Br)ccc21
InChIInChI=1S/C17H24BrClN2/c1-3-5-6-13(4-2)12-21-16-8-7-14(18)11-15(16)20-17(21)9-10-19/h7-8,11,13H,3-6,9-10,12H2,1-2H3
InChIKeyGQZMJIRPHGKMHA-UHFFFAOYSA-N
XLogP5.80
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.75
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-(2-chloroethyl)-1-(2-ethylhexyl)benzimidazole
CID 107817122
4-chloro-2-(2-chloroethyl)-1-(2-ethylhexyl)benzimidazole
CID 107817172
5-bromo-1-[(4-bromophenyl)methyl]-2-(2-chloroethyl)benzimidazole
CID 60780183
5-bromo-2-(2-chloroethyl)-1-(3-ethoxypropyl)benzimidazole
CID 43666524
5-bromo-2-(chloromethyl)-1-(2,3-dimethylbutyl)benzimidazole
CID 64597396
5-bromo-2-(2-chloroethyl)-1-(3-methylpentan-2-yl)benzimidazole
CID 63545579
2-(2-chloroethyl)-3-(2-ethylhexyl)-7-methylimidazo[4,5-b]pyridine
CID 107817140
5-bromo-1-butyl-2-(2-methoxyethyl)benzimidazole
CID 22730799
ethyl 2-[5-bromo-2-(2-chloroethyl)benzimidazol-1-yl]acetate
CID 60810829
5-bromo-2-(2-chloroethyl)-1-(2-phenylethyl)benzimidazole
CID 43666409
5-bromo-2-(2-chloroethyl)-1-[(1-methylpyrrolidin-3-yl)methyl]benzimidazole
CID 60855956
5-bromo-2-(2-chloroethyl)-1-(5-methylhexan-2-yl)benzimidazole
CID 63926124

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-chloroethyl)-1-(2-ethylhexyl)benzimidazole?
The IUPAC name of 5-bromo-2-(2-chloroethyl)-1-(2-ethylhexyl)benzimidazole (CID 107817166) is 5-bromo-2-(2-chloroethyl)-1-(2-ethylhexyl)benzimidazole.
What is the SMILES notation for 5-bromo-2-(2-chloroethyl)-1-(2-ethylhexyl)benzimidazole?
The canonical SMILES for 5-bromo-2-(2-chloroethyl)-1-(2-ethylhexyl)benzimidazole is CCCCC(CC)Cn1c(CCCl)nc2cc(Br)ccc21.
What is the InChIKey of 5-bromo-2-(2-chloroethyl)-1-(2-ethylhexyl)benzimidazole?
The InChIKey is GQZMJIRPHGKMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrClN2/c1-3-5-6-13(4-2)12-21-16-8-7-14(18)11-15(16)20-17(21)9-10-19/h7-8,11,13H,3-6,9-10,12H2,1-2H3.
What are the key properties of 5-bromo-2-(2-chloroethyl)-1-(2-ethylhexyl)benzimidazole?
5-bromo-2-(2-chloroethyl)-1-(2-ethylhexyl)benzimidazole has a molecular weight of 371.75 g/mol, XLogP of 5.80, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-chloroethyl)-1-(2-ethylhexyl)benzimidazole is sourced from PubChem (CID 107817166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).