tris(2-methyl-1-propylimidazole);trihydroiodide

C21H39I3N6 — CID 173173325

IUPACtris(2-methyl-1-propylimidazole);trihydroiodide
SMILESCCCn1ccnc1C.CCCn1ccnc1C.CCCn1ccnc1C.I.I.I
InChIInChI=1S/3C7H12N2.3HI/c3*1-3-5-9-6-4-8-7(9)2;;;/h3*4,6H,3,5H2,1-2H3;3*1H
InChIKeyHQZMMGLCMLJDSU-UHFFFAOYSA-N
MW756.30 g/mol
LogP6.66
Rot. Bonds6

About tris(2-methyl-1-propylimidazole);trihydroiodide

tris(2-methyl-1-propylimidazole);trihydroiodide (PubChem CID 173173325) has the molecular formula C21H39I3N6 and a molecular weight of 756.30 g/mol. Its IUPAC name is tris(2-methyl-1-propylimidazole);trihydroiodide.

Molecular Properties

Compound Nametris(2-methyl-1-propylimidazole);trihydroiodide
PubChem CID173173325
Molecular FormulaC21H39I3N6
Molecular Weight756.30 g/mol
Exact Mass756.04
IUPAC Nametris(2-methyl-1-propylimidazole);trihydroiodide
SMILESCCCn1ccnc1C.CCCn1ccnc1C.CCCn1ccnc1C.I.I.I
InChIInChI=1S/3C7H12N2.3HI/c3*1-3-5-9-6-4-8-7(9)2;;;/h3*4,6H,3,5H2,1-2H3;3*1H
InChIKeyHQZMMGLCMLJDSU-UHFFFAOYSA-N
XLogP6.66
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.30
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-octylimidazole;hydrate
CID 174602652
bis(1-decyl-2-methylimidazole);dihydrochloride
CID 173324377
alumane;1-ethyl-2-methylimidazole;dihydrochloride
CID 173131459
1-(2-butoxyethyl)-2-methylimidazole
CID 63810504
fluoroform;1-hexyl-2-methylimidazole
CID 174860235
N-[2-(2-methylimidazol-1-yl)ethyl]pentan-1-amine
CID 61492853
1-hexyl-2-methylimidazole;bis(1-methylimidazole);hydroiodide
CID 175335036
2-chloro-1-propylimidazole
CID 142765750
2-methyl-1-octadec-9-enylimidazole
CID 54514402
2-methyl-1-(4-methylpentyl)imidazole
CID 20811797
1-butyl-2-methylimidazole;methyl hydrogen carbonate
CID 175255728
6-(2-methylimidazol-1-yl)hexan-3-ol
CID 106802505

Frequently Asked Questions

What is the IUPAC name of tris(2-methyl-1-propylimidazole);trihydroiodide?
The IUPAC name of tris(2-methyl-1-propylimidazole);trihydroiodide (CID 173173325) is tris(2-methyl-1-propylimidazole);trihydroiodide.
What is the SMILES notation for tris(2-methyl-1-propylimidazole);trihydroiodide?
The canonical SMILES for tris(2-methyl-1-propylimidazole);trihydroiodide is CCCn1ccnc1C.CCCn1ccnc1C.CCCn1ccnc1C.I.I.I.
What is the InChIKey of tris(2-methyl-1-propylimidazole);trihydroiodide?
The InChIKey is HQZMMGLCMLJDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/3C7H12N2.3HI/c3*1-3-5-9-6-4-8-7(9)2;;;/h3*4,6H,3,5H2,1-2H3;3*1H.
What are the key properties of tris(2-methyl-1-propylimidazole);trihydroiodide?
tris(2-methyl-1-propylimidazole);trihydroiodide has a molecular weight of 756.30 g/mol, XLogP of 6.66, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-methyl-1-propylimidazole);trihydroiodide is sourced from PubChem (CID 173173325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).