4-chloro-2-(chloromethyl)-1-hexan-2-ylbenzimidazole

C14H18Cl2N2 — CID 104838029

IUPAC4-chloro-2-(chloromethyl)-1-hexan-2-ylbenzimidazole
SMILESCCCCC(C)n1c(CCl)nc2c(Cl)cccc21
InChIInChI=1S/C14H18Cl2N2/c1-3-4-6-10(2)18-12-8-5-7-11(16)14(12)17-13(18)9-15/h5,7-8,10H,3-4,6,9H2,1-2H3
InChIKeyWLDAMHWSXXFOLA-UHFFFAOYSA-N
MW285.22 g/mol
LogP5.18
Rot. Bonds5

About 4-chloro-2-(chloromethyl)-1-hexan-2-ylbenzimidazole

4-chloro-2-(chloromethyl)-1-hexan-2-ylbenzimidazole (PubChem CID 104838029) has the molecular formula C14H18Cl2N2 and a molecular weight of 285.22 g/mol. Its IUPAC name is 4-chloro-2-(chloromethyl)-1-hexan-2-ylbenzimidazole.

Molecular Properties

Compound Name4-chloro-2-(chloromethyl)-1-hexan-2-ylbenzimidazole
PubChem CID104838029
Molecular FormulaC14H18Cl2N2
Molecular Weight285.22 g/mol
Exact Mass284.08
IUPAC Name4-chloro-2-(chloromethyl)-1-hexan-2-ylbenzimidazole
SMILESCCCCC(C)n1c(CCl)nc2c(Cl)cccc21
InChIInChI=1S/C14H18Cl2N2/c1-3-4-6-10(2)18-12-8-5-7-11(16)14(12)17-13(18)9-15/h5,7-8,10H,3-4,6,9H2,1-2H3
InChIKeyWLDAMHWSXXFOLA-UHFFFAOYSA-N
XLogP5.18
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.22
LogP ≤ 55.18
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

1-butan-2-yl-4-chloro-2-(chloromethyl)benzimidazole
CID 104837361
4-chloro-2-(chloromethyl)-1-(4-methylhexan-2-yl)benzimidazole
CID 104838350
2-[4-chloro-2-(chloromethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine
CID 104838576
7-chloro-2-(chloromethyl)-1-hexan-2-ylbenzimidazole
CID 63545795
2-(chloromethyl)-1-octan-2-ylbenzimidazole-4-carbonitrile
CID 104719500
4-chloro-1-octan-2-ylbenzimidazol-2-amine
CID 104836976
1-butyl-4-chloro-2-(chloromethyl)benzimidazole
CID 104837320
3-[4-chloro-2-(2-chloroethyl)benzimidazol-1-yl]-N,N-dimethylbutan-1-amine
CID 104837887
2-(2-chloroethyl)-1-hexan-2-ylbenzimidazole-4-carbonitrile
CID 104719626
4-chloro-2-(2-chloroethyl)-1-(4-methylhexan-2-yl)benzimidazole
CID 104838349
4-chloro-2-(chloromethyl)-1-(5-methylhexyl)benzimidazole
CID 104838543
4-chloro-2-(chloromethyl)-1-(2-methyl-1-thiophen-2-ylpropyl)benzimidazole
CID 104837884

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(chloromethyl)-1-hexan-2-ylbenzimidazole?
The IUPAC name of 4-chloro-2-(chloromethyl)-1-hexan-2-ylbenzimidazole (CID 104838029) is 4-chloro-2-(chloromethyl)-1-hexan-2-ylbenzimidazole.
What is the SMILES notation for 4-chloro-2-(chloromethyl)-1-hexan-2-ylbenzimidazole?
The canonical SMILES for 4-chloro-2-(chloromethyl)-1-hexan-2-ylbenzimidazole is CCCCC(C)n1c(CCl)nc2c(Cl)cccc21.
What is the InChIKey of 4-chloro-2-(chloromethyl)-1-hexan-2-ylbenzimidazole?
The InChIKey is WLDAMHWSXXFOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2/c1-3-4-6-10(2)18-12-8-5-7-11(16)14(12)17-13(18)9-15/h5,7-8,10H,3-4,6,9H2,1-2H3.
What are the key properties of 4-chloro-2-(chloromethyl)-1-hexan-2-ylbenzimidazole?
4-chloro-2-(chloromethyl)-1-hexan-2-ylbenzimidazole has a molecular weight of 285.22 g/mol, XLogP of 5.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(chloromethyl)-1-hexan-2-ylbenzimidazole is sourced from PubChem (CID 104838029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).