5-bromo-2-(chloromethyl)-1-(5-methylhexyl)benzimidazole

C15H20BrClN2 — CID 115326558

IUPAC5-bromo-2-(chloromethyl)-1-(5-methylhexyl)benzimidazole
SMILESCC(C)CCCCn1c(CCl)nc2cc(Br)ccc21
InChIInChI=1S/C15H20BrClN2/c1-11(2)5-3-4-8-19-14-7-6-12(16)9-13(14)18-15(19)10-17/h6-7,9,11H,3-5,8,10H2,1-2H3
InChIKeyKUYGPIMEYTYFQW-UHFFFAOYSA-N
MW343.70 g/mol
LogP5.36
Rot. Bonds6

About 5-bromo-2-(chloromethyl)-1-(5-methylhexyl)benzimidazole

5-bromo-2-(chloromethyl)-1-(5-methylhexyl)benzimidazole (PubChem CID 115326558) has the molecular formula C15H20BrClN2 and a molecular weight of 343.70 g/mol. Its IUPAC name is 5-bromo-2-(chloromethyl)-1-(5-methylhexyl)benzimidazole.

Molecular Properties

Compound Name5-bromo-2-(chloromethyl)-1-(5-methylhexyl)benzimidazole
PubChem CID115326558
Molecular FormulaC15H20BrClN2
Molecular Weight343.70 g/mol
Exact Mass342.05
IUPAC Name5-bromo-2-(chloromethyl)-1-(5-methylhexyl)benzimidazole
SMILESCC(C)CCCCn1c(CCl)nc2cc(Br)ccc21
InChIInChI=1S/C15H20BrClN2/c1-11(2)5-3-4-8-19-14-7-6-12(16)9-13(14)18-15(19)10-17/h6-7,9,11H,3-5,8,10H2,1-2H3
InChIKeyKUYGPIMEYTYFQW-UHFFFAOYSA-N
XLogP5.36
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.70
LogP ≤ 55.36
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'}

Analyze 5-bromo-2-(chloromethyl)-1-(5-methylhexyl)benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(chloromethyl)-5-fluoro-1-(7-methyloctyl)benzimidazole
CID 107817097
2-(chloromethyl)-5-iodo-1-(4-methylpentyl)benzimidazole
CID 66081071
5-bromo-1-(7-methyloctyl)benzimidazol-2-amine
CID 107816938
5-bromo-2-(chloromethyl)-1-(2,3-dimethylbutyl)benzimidazole
CID 64597396
5-bromo-2-(chloromethyl)-1-(3-ethoxypropyl)benzimidazole
CID 43660258
2-[5-bromo-2-(chloromethyl)benzimidazol-1-yl]-N,N-diethylethanamine
CID 43660318
6-bromo-2-(1-chloroethyl)-1-(5-methylhexyl)benzimidazole
CID 115326631
2-[5-bromo-2-(chloromethyl)benzimidazol-1-yl]-N-methylacetamide
CID 43661028
6-bromo-2-(chloromethyl)-1-(2-methylpropyl)benzimidazole
CID 65345262
5-bromo-2-(chloromethyl)-1-[2-(2-methylphenyl)ethyl]benzimidazole
CID 79754736
5-bromo-2-(chloromethyl)-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzimidazole
CID 62117759
5-bromo-2-(chloromethyl)-1-(2-imidazol-1-ylethyl)benzimidazole
CID 55139198

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(chloromethyl)-1-(5-methylhexyl)benzimidazole?
The IUPAC name of 5-bromo-2-(chloromethyl)-1-(5-methylhexyl)benzimidazole (CID 115326558) is 5-bromo-2-(chloromethyl)-1-(5-methylhexyl)benzimidazole.
What is the SMILES notation for 5-bromo-2-(chloromethyl)-1-(5-methylhexyl)benzimidazole?
The canonical SMILES for 5-bromo-2-(chloromethyl)-1-(5-methylhexyl)benzimidazole is CC(C)CCCCn1c(CCl)nc2cc(Br)ccc21.
What is the InChIKey of 5-bromo-2-(chloromethyl)-1-(5-methylhexyl)benzimidazole?
The InChIKey is KUYGPIMEYTYFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrClN2/c1-11(2)5-3-4-8-19-14-7-6-12(16)9-13(14)18-15(19)10-17/h6-7,9,11H,3-5,8,10H2,1-2H3.
What are the key properties of 5-bromo-2-(chloromethyl)-1-(5-methylhexyl)benzimidazole?
5-bromo-2-(chloromethyl)-1-(5-methylhexyl)benzimidazole has a molecular weight of 343.70 g/mol, XLogP of 5.36, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(chloromethyl)-1-(5-methylhexyl)benzimidazole is sourced from PubChem (CID 115326558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).