ethane;2-[(1Z,3Z)-penta-1,3-dienyl]-1H-imidazole;hydroiodide

C10H17IN2 — CID 143945095

IUPACethane;2-[(1Z,3Z)-penta-1,3-dienyl]-1H-imidazole;hydroiodide
SMILESC/C=C\C=C/c1ncc[nH]1.CC.I
InChIInChI=1S/C8H10N2.C2H6.HI/c1-2-3-4-5-8-9-6-7-10-8;1-2;/h2-7H,1H3,(H,9,10);1-2H3;1H/b3-2-,5-4-;;
InChIKeyHVEPKMDNAMSJEK-AIDAWWJNSA-N
MW292.16 g/mol
LogP3.64
Rot. Bonds2

About ethane;2-[(1Z,3Z)-penta-1,3-dienyl]-1H-imidazole;hydroiodide

ethane;2-[(1Z,3Z)-penta-1,3-dienyl]-1H-imidazole;hydroiodide (PubChem CID 143945095) has the molecular formula C10H17IN2 and a molecular weight of 292.16 g/mol. Its IUPAC name is ethane;2-[(1Z,3Z)-penta-1,3-dienyl]-1H-imidazole;hydroiodide.

Molecular Properties

Compound Nameethane;2-[(1Z,3Z)-penta-1,3-dienyl]-1H-imidazole;hydroiodide
PubChem CID143945095
Molecular FormulaC10H17IN2
Molecular Weight292.16 g/mol
Exact Mass292.04
IUPAC Nameethane;2-[(1Z,3Z)-penta-1,3-dienyl]-1H-imidazole;hydroiodide
SMILESC/C=C\C=C/c1ncc[nH]1.CC.I
InChIInChI=1S/C8H10N2.C2H6.HI/c1-2-3-4-5-8-9-6-7-10-8;1-2;/h2-7H,1H3,(H,9,10);1-2H3;1H/b3-2-,5-4-;;
InChIKeyHVEPKMDNAMSJEK-AIDAWWJNSA-N
XLogP3.64
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.16
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;2-[(1Z,3Z)-penta-1,3-dienyl]-1H-imidazole;hydroiodide?
The IUPAC name of ethane;2-[(1Z,3Z)-penta-1,3-dienyl]-1H-imidazole;hydroiodide (CID 143945095) is ethane;2-[(1Z,3Z)-penta-1,3-dienyl]-1H-imidazole;hydroiodide.
What is the SMILES notation for ethane;2-[(1Z,3Z)-penta-1,3-dienyl]-1H-imidazole;hydroiodide?
The canonical SMILES for ethane;2-[(1Z,3Z)-penta-1,3-dienyl]-1H-imidazole;hydroiodide is C/C=C\C=C/c1ncc[nH]1.CC.I.
What is the InChIKey of ethane;2-[(1Z,3Z)-penta-1,3-dienyl]-1H-imidazole;hydroiodide?
The InChIKey is HVEPKMDNAMSJEK-AIDAWWJNSA-N. The full InChI is InChI=1S/C8H10N2.C2H6.HI/c1-2-3-4-5-8-9-6-7-10-8;1-2;/h2-7H,1H3,(H,9,10);1-2H3;1H/b3-2-,5-4-;;.
What are the key properties of ethane;2-[(1Z,3Z)-penta-1,3-dienyl]-1H-imidazole;hydroiodide?
ethane;2-[(1Z,3Z)-penta-1,3-dienyl]-1H-imidazole;hydroiodide has a molecular weight of 292.16 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[(1Z,3Z)-penta-1,3-dienyl]-1H-imidazole;hydroiodide is sourced from PubChem (CID 143945095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).