5-bromo-2-(2-chloroethyl)-1-(5-methylhexan-2-yl)benzimidazole

C16H22BrClN2 — CID 63926124

IUPAC5-bromo-2-(2-chloroethyl)-1-(5-methylhexan-2-yl)benzimidazole
SMILESCC(C)CCC(C)n1c(CCCl)nc2cc(Br)ccc21
InChIInChI=1S/C16H22BrClN2/c1-11(2)4-5-12(3)20-15-7-6-13(17)10-14(15)19-16(20)8-9-18/h6-7,10-12H,4-5,8-9H2,1-3H3
InChIKeyNXHNFVVSXSPPBM-UHFFFAOYSA-N
MW357.72 g/mol
LogP5.58
Rot. Bonds6

About 5-bromo-2-(2-chloroethyl)-1-(5-methylhexan-2-yl)benzimidazole

5-bromo-2-(2-chloroethyl)-1-(5-methylhexan-2-yl)benzimidazole (PubChem CID 63926124) has the molecular formula C16H22BrClN2 and a molecular weight of 357.72 g/mol. Its IUPAC name is 5-bromo-2-(2-chloroethyl)-1-(5-methylhexan-2-yl)benzimidazole.

Molecular Properties

Compound Name5-bromo-2-(2-chloroethyl)-1-(5-methylhexan-2-yl)benzimidazole
PubChem CID63926124
Molecular FormulaC16H22BrClN2
Molecular Weight357.72 g/mol
Exact Mass356.07
IUPAC Name5-bromo-2-(2-chloroethyl)-1-(5-methylhexan-2-yl)benzimidazole
SMILESCC(C)CCC(C)n1c(CCCl)nc2cc(Br)ccc21
InChIInChI=1S/C16H22BrClN2/c1-11(2)4-5-12(3)20-15-7-6-13(17)10-14(15)19-16(20)8-9-18/h6-7,10-12H,4-5,8-9H2,1-3H3
InChIKeyNXHNFVVSXSPPBM-UHFFFAOYSA-N
XLogP5.58
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.72
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-bromo-2-(2-chloroethyl)-1-(5-methylhexan-2-yl)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

6-bromo-2-(chloromethyl)-1-(5-methylhexan-2-yl)benzimidazole
CID 65346159
5-bromo-2-(2-chloroethyl)-1-(3-methylpentan-2-yl)benzimidazole
CID 63545579
2-(2-chloroethyl)-5-iodo-1-(6-methylheptan-2-yl)benzimidazole
CID 66082234
3-[6-bromo-2-(2-chloroethyl)benzimidazol-1-yl]-N,N-dimethylbutan-1-amine
CID 65346460
2-[6-bromo-2-(2-chloroethyl)benzimidazol-1-yl]-N,N-diethylpropan-1-amine
CID 65346330
5-bromo-2-(chloromethyl)-1-(1-methoxypropan-2-yl)benzimidazole
CID 43660026
2-(2-chloroethyl)-6-fluoro-1-(6-methylheptan-2-yl)benzimidazole
CID 63547183
1-butan-2-yl-2-(2-chloroethyl)-5-fluorobenzimidazole
CID 43666323
5-bromo-2-(chloromethyl)-1-(5-methylhexyl)benzimidazole
CID 115326558
2-(2-chloroethyl)-5-fluoro-1-octan-2-ylbenzimidazole
CID 63546138
2-(2-chloroethyl)-1-(4-methylsulfanylbutan-2-yl)benzimidazole
CID 113477871
4-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)-2-methylbutan-2-amine
CID 62048134

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-chloroethyl)-1-(5-methylhexan-2-yl)benzimidazole?
The IUPAC name of 5-bromo-2-(2-chloroethyl)-1-(5-methylhexan-2-yl)benzimidazole (CID 63926124) is 5-bromo-2-(2-chloroethyl)-1-(5-methylhexan-2-yl)benzimidazole.
What is the SMILES notation for 5-bromo-2-(2-chloroethyl)-1-(5-methylhexan-2-yl)benzimidazole?
The canonical SMILES for 5-bromo-2-(2-chloroethyl)-1-(5-methylhexan-2-yl)benzimidazole is CC(C)CCC(C)n1c(CCCl)nc2cc(Br)ccc21.
What is the InChIKey of 5-bromo-2-(2-chloroethyl)-1-(5-methylhexan-2-yl)benzimidazole?
The InChIKey is NXHNFVVSXSPPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrClN2/c1-11(2)4-5-12(3)20-15-7-6-13(17)10-14(15)19-16(20)8-9-18/h6-7,10-12H,4-5,8-9H2,1-3H3.
What are the key properties of 5-bromo-2-(2-chloroethyl)-1-(5-methylhexan-2-yl)benzimidazole?
5-bromo-2-(2-chloroethyl)-1-(5-methylhexan-2-yl)benzimidazole has a molecular weight of 357.72 g/mol, XLogP of 5.58, 6 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-(5-methylhexan-2-yl)benzimidazole is sourced from PubChem (CID 63926124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).