[2-[(Z)-2-iodoethenyl]imidazol-1-yl]methanimine

C6H6IN3 — CID 89470075

IUPAC[2-[(Z)-2-iodoethenyl]imidazol-1-yl]methanimine
SMILES[H]/N=C/n1ccnc1/C=C\I
InChIInChI=1S/C6H6IN3/c7-2-1-6-9-3-4-10(6)5-8/h1-5,8H/b2-1-,8-5+
InChIKeyHEJJFOLPQOKWTB-GUSUVPGTSA-N
MW247.04 g/mol
LogP1.74
Rot. Bonds2

About [2-[(Z)-2-iodoethenyl]imidazol-1-yl]methanimine

[2-[(Z)-2-iodoethenyl]imidazol-1-yl]methanimine (PubChem CID 89470075) has the molecular formula C6H6IN3 and a molecular weight of 247.04 g/mol. Its IUPAC name is [2-[(Z)-2-iodoethenyl]imidazol-1-yl]methanimine.

Molecular Properties

Compound Name[2-[(Z)-2-iodoethenyl]imidazol-1-yl]methanimine
PubChem CID89470075
Molecular FormulaC6H6IN3
Molecular Weight247.04 g/mol
Exact Mass246.96
IUPAC Name[2-[(Z)-2-iodoethenyl]imidazol-1-yl]methanimine
SMILES[H]/N=C/n1ccnc1/C=C\I
InChIInChI=1S/C6H6IN3/c7-2-1-6-9-3-4-10(6)5-8/h1-5,8H/b2-1-,8-5+
InChIKeyHEJJFOLPQOKWTB-GUSUVPGTSA-N
XLogP1.74
TPSA41.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.04
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[(Z)-2-iodoethenyl]imidazol-1-yl]methanimine?
The IUPAC name of [2-[(Z)-2-iodoethenyl]imidazol-1-yl]methanimine (CID 89470075) is [2-[(Z)-2-iodoethenyl]imidazol-1-yl]methanimine.
What is the SMILES notation for [2-[(Z)-2-iodoethenyl]imidazol-1-yl]methanimine?
The canonical SMILES for [2-[(Z)-2-iodoethenyl]imidazol-1-yl]methanimine is [H]/N=C/n1ccnc1/C=C\I.
What is the InChIKey of [2-[(Z)-2-iodoethenyl]imidazol-1-yl]methanimine?
The InChIKey is HEJJFOLPQOKWTB-GUSUVPGTSA-N. The full InChI is InChI=1S/C6H6IN3/c7-2-1-6-9-3-4-10(6)5-8/h1-5,8H/b2-1-,8-5+.
What are the key properties of [2-[(Z)-2-iodoethenyl]imidazol-1-yl]methanimine?
[2-[(Z)-2-iodoethenyl]imidazol-1-yl]methanimine has a molecular weight of 247.04 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(Z)-2-iodoethenyl]imidazol-1-yl]methanimine is sourced from PubChem (CID 89470075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).