tris(1,2-dimethylimidazole);trihydroxy(methyl)phosphanium

C16H30N6O3P+ — CID 173068105

IUPACtris(1,2-dimethylimidazole);trihydroxy(methyl)phosphanium
SMILESC[P+](O)(O)O.Cc1nccn1C.Cc1nccn1C.Cc1nccn1C
InChIInChI=1S/3C5H8N2.CH6O3P/c3*1-5-6-3-4-7(5)2;1-5(2,3)4/h3*3-4H,1-2H3;2-4H,1H3/q;;;+1
InChIKeyRUKPQEVDOVOVNI-UHFFFAOYSA-N
MW385.43 g/mol
LogP1.54
Rot. Bonds

About tris(1,2-dimethylimidazole);trihydroxy(methyl)phosphanium

tris(1,2-dimethylimidazole);trihydroxy(methyl)phosphanium (PubChem CID 173068105) has the molecular formula C16H30N6O3P+ and a molecular weight of 385.43 g/mol. Its IUPAC name is tris(1,2-dimethylimidazole);trihydroxy(methyl)phosphanium.

Molecular Properties

Compound Nametris(1,2-dimethylimidazole);trihydroxy(methyl)phosphanium
PubChem CID173068105
Molecular FormulaC16H30N6O3P+
Molecular Weight385.43 g/mol
Exact Mass385.21
IUPAC Nametris(1,2-dimethylimidazole);trihydroxy(methyl)phosphanium
SMILESC[P+](O)(O)O.Cc1nccn1C.Cc1nccn1C.Cc1nccn1C
InChIInChI=1S/3C5H8N2.CH6O3P/c3*1-5-6-3-4-7(5)2;1-5(2,3)4/h3*3-4H,1-2H3;2-4H,1H3/q;;;+1
InChIKeyRUKPQEVDOVOVNI-UHFFFAOYSA-N
XLogP1.54
TPSA114.15 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

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CID 174990589
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CID 56649293
1,2-dimethylimidazole;1-hydroxy-4-methylpyridin-1-ium
CID 143854706
methane;1-(1-methylimidazol-2-yl)ethanol
CID 174578222
1,2-dimethylimidazole;piperidine
CID 142002263
1,2-dimethylimidazole;2,5-dimethyl-1,3-thiazole
CID 91557964
(2R)-1-(1-methylimidazol-2-yl)propane-1,2-diol;hydrochloride
CID 173103248
1,2-dimethylimidazole;isoindole-1,3-dione
CID 174411656
1,2-dimethylimidazole;1H-imidazole;sulfurochloridic acid
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4-hydroxy-1-(1-methylimidazol-2-yl)pentan-3-one
CID 103451481

Frequently Asked Questions

What is the IUPAC name of tris(1,2-dimethylimidazole);trihydroxy(methyl)phosphanium?
The IUPAC name of tris(1,2-dimethylimidazole);trihydroxy(methyl)phosphanium (CID 173068105) is tris(1,2-dimethylimidazole);trihydroxy(methyl)phosphanium.
What is the SMILES notation for tris(1,2-dimethylimidazole);trihydroxy(methyl)phosphanium?
The canonical SMILES for tris(1,2-dimethylimidazole);trihydroxy(methyl)phosphanium is C[P+](O)(O)O.Cc1nccn1C.Cc1nccn1C.Cc1nccn1C.
What is the InChIKey of tris(1,2-dimethylimidazole);trihydroxy(methyl)phosphanium?
The InChIKey is RUKPQEVDOVOVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/3C5H8N2.CH6O3P/c3*1-5-6-3-4-7(5)2;1-5(2,3)4/h3*3-4H,1-2H3;2-4H,1H3/q;;;+1.
What are the key properties of tris(1,2-dimethylimidazole);trihydroxy(methyl)phosphanium?
tris(1,2-dimethylimidazole);trihydroxy(methyl)phosphanium has a molecular weight of 385.43 g/mol, XLogP of 1.54, 0 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1,2-dimethylimidazole);trihydroxy(methyl)phosphanium is sourced from PubChem (CID 173068105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).