5-chloro-1-decyl-4-ethylimidazole

C15H27ClN2 — CID 123357885

IUPAC5-chloro-1-decyl-4-ethylimidazole
SMILESCCCCCCCCCCn1cnc(CC)c1Cl
InChIInChI=1S/C15H27ClN2/c1-3-5-6-7-8-9-10-11-12-18-13-17-14(4-2)15(18)16/h13H,3-12H2,1-2H3
InChIKeyKREDJBUXADMMSV-UHFFFAOYSA-N
MW270.85 g/mol
LogP5.24
Rot. Bonds10

About 5-chloro-1-decyl-4-ethylimidazole

5-chloro-1-decyl-4-ethylimidazole (PubChem CID 123357885) has the molecular formula C15H27ClN2 and a molecular weight of 270.85 g/mol. Its IUPAC name is 5-chloro-1-decyl-4-ethylimidazole.

Molecular Properties

Compound Name5-chloro-1-decyl-4-ethylimidazole
PubChem CID123357885
Molecular FormulaC15H27ClN2
Molecular Weight270.85 g/mol
Exact Mass270.19
IUPAC Name5-chloro-1-decyl-4-ethylimidazole
SMILESCCCCCCCCCCn1cnc(CC)c1Cl
InChIInChI=1S/C15H27ClN2/c1-3-5-6-7-8-9-10-11-12-18-13-17-14(4-2)15(18)16/h13H,3-12H2,1-2H3
InChIKeyKREDJBUXADMMSV-UHFFFAOYSA-N
XLogP5.24
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.85
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-decyl-4-ethylimidazole?
The IUPAC name of 5-chloro-1-decyl-4-ethylimidazole (CID 123357885) is 5-chloro-1-decyl-4-ethylimidazole.
What is the SMILES notation for 5-chloro-1-decyl-4-ethylimidazole?
The canonical SMILES for 5-chloro-1-decyl-4-ethylimidazole is CCCCCCCCCCn1cnc(CC)c1Cl.
What is the InChIKey of 5-chloro-1-decyl-4-ethylimidazole?
The InChIKey is KREDJBUXADMMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27ClN2/c1-3-5-6-7-8-9-10-11-12-18-13-17-14(4-2)15(18)16/h13H,3-12H2,1-2H3.
What are the key properties of 5-chloro-1-decyl-4-ethylimidazole?
5-chloro-1-decyl-4-ethylimidazole has a molecular weight of 270.85 g/mol, XLogP of 5.24, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-decyl-4-ethylimidazole is sourced from PubChem (CID 123357885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).