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

C14H18Cl2N2 — CID 63545795

IUPAC7-chloro-2-(chloromethyl)-1-hexan-2-ylbenzimidazole
SMILESCCCCC(C)n1c(CCl)nc2cccc(Cl)c21
InChIInChI=1S/C14H18Cl2N2/c1-3-4-6-10(2)18-13(9-15)17-12-8-5-7-11(16)14(12)18/h5,7-8,10H,3-4,6,9H2,1-2H3
InChIKeyNMAAQPPLLQVABI-UHFFFAOYSA-N
MW285.22 g/mol
LogP5.18
Rot. Bonds5

About 7-chloro-2-(chloromethyl)-1-hexan-2-ylbenzimidazole

7-chloro-2-(chloromethyl)-1-hexan-2-ylbenzimidazole (PubChem CID 63545795) has the molecular formula C14H18Cl2N2 and a molecular weight of 285.22 g/mol. Its IUPAC name is 7-chloro-2-(chloromethyl)-1-hexan-2-ylbenzimidazole.

Molecular Properties

Compound Name7-chloro-2-(chloromethyl)-1-hexan-2-ylbenzimidazole
PubChem CID63545795
Molecular FormulaC14H18Cl2N2
Molecular Weight285.22 g/mol
Exact Mass284.08
IUPAC Name7-chloro-2-(chloromethyl)-1-hexan-2-ylbenzimidazole
SMILESCCCCC(C)n1c(CCl)nc2cccc(Cl)c21
InChIInChI=1S/C14H18Cl2N2/c1-3-4-6-10(2)18-13(9-15)17-12-8-5-7-11(16)14(12)18/h5,7-8,10H,3-4,6,9H2,1-2H3
InChIKeyNMAAQPPLLQVABI-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

4-chloro-2-(chloromethyl)-1-hexan-2-ylbenzimidazole
CID 104838029
7-chloro-2-(chloromethyl)-1-(3-methylpentan-2-yl)benzimidazole
CID 63545399
2-(2-chloroethyl)-1-hexan-2-yl-7-methylbenzimidazole
CID 115553382
2-(chloromethyl)-3-hexan-2-ylimidazo[4,5-b]pyridine
CID 79294961
2-(chloromethyl)-3-hexan-2-ylquinazolin-4-one
CID 62200086
7-chloro-2-(chloromethyl)-1-(1-imidazol-1-ylpropan-2-yl)benzimidazole
CID 61482660
7-chloro-2-(chloromethyl)-1-(3-methylbutyl)benzimidazole
CID 43659958
7-chloro-2-(chloromethyl)-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazole
CID 61477720
2-(chloromethyl)-3-hexan-2-yl-5-methoxyimidazo[4,5-b]pyridine
CID 115322969
7-chloro-2-(2-chloroethyl)-1-(1-methylsulfonylpropan-2-yl)benzimidazole
CID 64643619
2-(chloromethyl)-7-methyl-1-propan-2-ylbenzimidazole
CID 115552648
2-(chloromethyl)-7-methyl-1-(2-methylpentan-3-yl)benzimidazole
CID 113334040

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(chloromethyl)-1-hexan-2-ylbenzimidazole?
The IUPAC name of 7-chloro-2-(chloromethyl)-1-hexan-2-ylbenzimidazole (CID 63545795) is 7-chloro-2-(chloromethyl)-1-hexan-2-ylbenzimidazole.
What is the SMILES notation for 7-chloro-2-(chloromethyl)-1-hexan-2-ylbenzimidazole?
The canonical SMILES for 7-chloro-2-(chloromethyl)-1-hexan-2-ylbenzimidazole is CCCCC(C)n1c(CCl)nc2cccc(Cl)c21.
What is the InChIKey of 7-chloro-2-(chloromethyl)-1-hexan-2-ylbenzimidazole?
The InChIKey is NMAAQPPLLQVABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2/c1-3-4-6-10(2)18-13(9-15)17-12-8-5-7-11(16)14(12)18/h5,7-8,10H,3-4,6,9H2,1-2H3.
What are the key properties of 7-chloro-2-(chloromethyl)-1-hexan-2-ylbenzimidazole?
7-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 7-chloro-2-(chloromethyl)-1-hexan-2-ylbenzimidazole is sourced from PubChem (CID 63545795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).