2-tetradec-13-enyl-1H-imidazole;hydroiodide

C17H31IN2 — CID 175512379

IUPAC2-tetradec-13-enyl-1H-imidazole;hydroiodide
SMILESC=CCCCCCCCCCCCCc1ncc[nH]1.I
InChIInChI=1S/C17H30N2.HI/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-18-15-16-19-17;/h2,15-16H,1,3-14H2,(H,18,19);1H
InChIKeyKNVMYSJFHQKKLB-UHFFFAOYSA-N
MW390.35 g/mol
LogP6.05
Rot. Bonds13

About 2-tetradec-13-enyl-1H-imidazole;hydroiodide

2-tetradec-13-enyl-1H-imidazole;hydroiodide (PubChem CID 175512379) has the molecular formula C17H31IN2 and a molecular weight of 390.35 g/mol. Its IUPAC name is 2-tetradec-13-enyl-1H-imidazole;hydroiodide.

Molecular Properties

Compound Name2-tetradec-13-enyl-1H-imidazole;hydroiodide
PubChem CID175512379
Molecular FormulaC17H31IN2
Molecular Weight390.35 g/mol
Exact Mass390.15
IUPAC Name2-tetradec-13-enyl-1H-imidazole;hydroiodide
SMILESC=CCCCCCCCCCCCCc1ncc[nH]1.I
InChIInChI=1S/C17H30N2.HI/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-18-15-16-19-17;/h2,15-16H,1,3-14H2,(H,18,19);1H
InChIKeyKNVMYSJFHQKKLB-UHFFFAOYSA-N
XLogP6.05
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.35
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-tetradec-13-enyl-1H-imidazole;hydroiodide?
The IUPAC name of 2-tetradec-13-enyl-1H-imidazole;hydroiodide (CID 175512379) is 2-tetradec-13-enyl-1H-imidazole;hydroiodide.
What is the SMILES notation for 2-tetradec-13-enyl-1H-imidazole;hydroiodide?
The canonical SMILES for 2-tetradec-13-enyl-1H-imidazole;hydroiodide is C=CCCCCCCCCCCCCc1ncc[nH]1.I.
What is the InChIKey of 2-tetradec-13-enyl-1H-imidazole;hydroiodide?
The InChIKey is KNVMYSJFHQKKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2.HI/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-18-15-16-19-17;/h2,15-16H,1,3-14H2,(H,18,19);1H.
What are the key properties of 2-tetradec-13-enyl-1H-imidazole;hydroiodide?
2-tetradec-13-enyl-1H-imidazole;hydroiodide has a molecular weight of 390.35 g/mol, XLogP of 6.05, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tetradec-13-enyl-1H-imidazole;hydroiodide is sourced from PubChem (CID 175512379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).