6-chloro-2-(chloromethyl)-1-hexan-3-ylbenzimidazole

C14H18Cl2N2 — CID 113316350

IUPAC6-chloro-2-(chloromethyl)-1-hexan-3-ylbenzimidazole
SMILESCCCC(CC)n1c(CCl)nc2ccc(Cl)cc21
InChIInChI=1S/C14H18Cl2N2/c1-3-5-11(4-2)18-13-8-10(16)6-7-12(13)17-14(18)9-15/h6-8,11H,3-5,9H2,1-2H3
InChIKeyNLOZQPXWOQDHRQ-UHFFFAOYSA-N
MW285.22 g/mol
LogP5.18
Rot. Bonds5

About 6-chloro-2-(chloromethyl)-1-hexan-3-ylbenzimidazole

6-chloro-2-(chloromethyl)-1-hexan-3-ylbenzimidazole (PubChem CID 113316350) has the molecular formula C14H18Cl2N2 and a molecular weight of 285.22 g/mol. Its IUPAC name is 6-chloro-2-(chloromethyl)-1-hexan-3-ylbenzimidazole.

Molecular Properties

Compound Name6-chloro-2-(chloromethyl)-1-hexan-3-ylbenzimidazole
PubChem CID113316350
Molecular FormulaC14H18Cl2N2
Molecular Weight285.22 g/mol
Exact Mass284.08
IUPAC Name6-chloro-2-(chloromethyl)-1-hexan-3-ylbenzimidazole
SMILESCCCC(CC)n1c(CCl)nc2ccc(Cl)cc21
InChIInChI=1S/C14H18Cl2N2/c1-3-5-11(4-2)18-13-8-10(16)6-7-12(13)17-14(18)9-15/h6-8,11H,3-5,9H2,1-2H3
InChIKeyNLOZQPXWOQDHRQ-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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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(chloromethyl)-1-hexan-3-ylbenzimidazole?
The IUPAC name of 6-chloro-2-(chloromethyl)-1-hexan-3-ylbenzimidazole (CID 113316350) is 6-chloro-2-(chloromethyl)-1-hexan-3-ylbenzimidazole.
What is the SMILES notation for 6-chloro-2-(chloromethyl)-1-hexan-3-ylbenzimidazole?
The canonical SMILES for 6-chloro-2-(chloromethyl)-1-hexan-3-ylbenzimidazole is CCCC(CC)n1c(CCl)nc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-2-(chloromethyl)-1-hexan-3-ylbenzimidazole?
The InChIKey is NLOZQPXWOQDHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2/c1-3-5-11(4-2)18-13-8-10(16)6-7-12(13)17-14(18)9-15/h6-8,11H,3-5,9H2,1-2H3.
What are the key properties of 6-chloro-2-(chloromethyl)-1-hexan-3-ylbenzimidazole?
6-chloro-2-(chloromethyl)-1-hexan-3-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 6-chloro-2-(chloromethyl)-1-hexan-3-ylbenzimidazole is sourced from PubChem (CID 113316350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).