2-chloro-1,4,5-trimethylimidazole;diiodovanadium

C6H9ClI2N2V — CID 159466578

IUPAC2-chloro-1,4,5-trimethylimidazole;diiodovanadium
SMILESCc1nc(Cl)n(C)c1C.I[V]I
InChIInChI=1S/C6H9ClN2.2HI.V/c1-4-5(2)9(3)6(7)8-4;;;/h1-3H3;2*1H;/q;;;+2/p-2
InChIKeyLVGKWVCODNYJRW-UHFFFAOYSA-L
MW449.36 g/mol
LogP3.46
Rot. Bonds

About 2-chloro-1,4,5-trimethylimidazole;diiodovanadium

2-chloro-1,4,5-trimethylimidazole;diiodovanadium (PubChem CID 159466578) has the molecular formula C6H9ClI2N2V and a molecular weight of 449.36 g/mol. Its IUPAC name is 2-chloro-1,4,5-trimethylimidazole;diiodovanadium.

Molecular Properties

Compound Name2-chloro-1,4,5-trimethylimidazole;diiodovanadium
PubChem CID159466578
Molecular FormulaC6H9ClI2N2V
Molecular Weight449.36 g/mol
Exact Mass448.80
IUPAC Name2-chloro-1,4,5-trimethylimidazole;diiodovanadium
SMILESCc1nc(Cl)n(C)c1C.I[V]I
InChIInChI=1S/C6H9ClN2.2HI.V/c1-4-5(2)9(3)6(7)8-4;;;/h1-3H3;2*1H;/q;;;+2/p-2
InChIKeyLVGKWVCODNYJRW-UHFFFAOYSA-L
XLogP3.46
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.36
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-1,5,6-trimethylpyrazin-2-one
CID 146565343
2-chloro-1-ethyl-4,5-dimethylimidazole
CID 30033031
2-(deuteriomethyl)-1,4,5-trimethylimidazole
CID 59970458
1-(1,4,5-trimethylimidazol-2-yl)ethanamine
CID 82463368
2-(2,4-dichlorophenyl)-1,4,5-trimethylimidazole
CID 102416631
methyl-(1,4,5-trimethylimidazol-2-yl)diazene
CID 118299373
2-(1,4,5-trimethylimidazol-2-yl)ethanethiol
CID 154656315
3,5-dichloro-4-methyl-1,2,4-triazole
CID 45090542
1-methylpiperidine;1,2,4,5-tetramethylimidazole
CID 142002104
2-oxo-2-(1,4,5-trimethylimidazol-2-yl)acetic acid
CID 83391324
2-chloro-4,5,6-trimethylpyrimidine
CID 12501987
4-(1,4,5-trimethylimidazol-2-yl)phenol
CID 135971971

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,4,5-trimethylimidazole;diiodovanadium?
The IUPAC name of 2-chloro-1,4,5-trimethylimidazole;diiodovanadium (CID 159466578) is 2-chloro-1,4,5-trimethylimidazole;diiodovanadium.
What is the SMILES notation for 2-chloro-1,4,5-trimethylimidazole;diiodovanadium?
The canonical SMILES for 2-chloro-1,4,5-trimethylimidazole;diiodovanadium is Cc1nc(Cl)n(C)c1C.I[V]I.
What is the InChIKey of 2-chloro-1,4,5-trimethylimidazole;diiodovanadium?
The InChIKey is LVGKWVCODNYJRW-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H9ClN2.2HI.V/c1-4-5(2)9(3)6(7)8-4;;;/h1-3H3;2*1H;/q;;;+2/p-2.
What are the key properties of 2-chloro-1,4,5-trimethylimidazole;diiodovanadium?
2-chloro-1,4,5-trimethylimidazole;diiodovanadium has a molecular weight of 449.36 g/mol, XLogP of 3.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,4,5-trimethylimidazole;diiodovanadium is sourced from PubChem (CID 159466578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).