1-(6-chlorohexyl)-2-thiophen-2-ylimidazole

C13H17ClN2S — CID 55053624

IUPAC1-(6-chlorohexyl)-2-thiophen-2-ylimidazole
SMILESClCCCCCCn1ccnc1-c1cccs1
InChIInChI=1S/C13H17ClN2S/c14-7-3-1-2-4-9-16-10-8-15-13(16)12-6-5-11-17-12/h5-6,8,10-11H,1-4,7,9H2
InChIKeyZDUHYMULACDNPR-UHFFFAOYSA-N
MW268.81 g/mol
LogP4.41
Rot. Bonds7

About 1-(6-chlorohexyl)-2-thiophen-2-ylimidazole

1-(6-chlorohexyl)-2-thiophen-2-ylimidazole (PubChem CID 55053624) has the molecular formula C13H17ClN2S and a molecular weight of 268.81 g/mol. Its IUPAC name is 1-(6-chlorohexyl)-2-thiophen-2-ylimidazole.

Molecular Properties

Compound Name1-(6-chlorohexyl)-2-thiophen-2-ylimidazole
PubChem CID55053624
Molecular FormulaC13H17ClN2S
Molecular Weight268.81 g/mol
Exact Mass268.08
IUPAC Name1-(6-chlorohexyl)-2-thiophen-2-ylimidazole
SMILESClCCCCCCn1ccnc1-c1cccs1
InChIInChI=1S/C13H17ClN2S/c14-7-3-1-2-4-9-16-10-8-15-13(16)12-6-5-11-17-12/h5-6,8,10-11H,1-4,7,9H2
InChIKeyZDUHYMULACDNPR-UHFFFAOYSA-N
XLogP4.41
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.81
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chlorohexyl)-2-thiophen-2-ylimidazole?
The IUPAC name of 1-(6-chlorohexyl)-2-thiophen-2-ylimidazole (CID 55053624) is 1-(6-chlorohexyl)-2-thiophen-2-ylimidazole.
What is the SMILES notation for 1-(6-chlorohexyl)-2-thiophen-2-ylimidazole?
The canonical SMILES for 1-(6-chlorohexyl)-2-thiophen-2-ylimidazole is ClCCCCCCn1ccnc1-c1cccs1.
What is the InChIKey of 1-(6-chlorohexyl)-2-thiophen-2-ylimidazole?
The InChIKey is ZDUHYMULACDNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2S/c14-7-3-1-2-4-9-16-10-8-15-13(16)12-6-5-11-17-12/h5-6,8,10-11H,1-4,7,9H2.
What are the key properties of 1-(6-chlorohexyl)-2-thiophen-2-ylimidazole?
1-(6-chlorohexyl)-2-thiophen-2-ylimidazole has a molecular weight of 268.81 g/mol, XLogP of 4.41, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chlorohexyl)-2-thiophen-2-ylimidazole is sourced from PubChem (CID 55053624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).