2-ethyl-1-methylimidazole;ethyl(trihydroxy)phosphanium

C8H18N2O3P+ — CID 174757497

IUPAC2-ethyl-1-methylimidazole;ethyl(trihydroxy)phosphanium
SMILESCC[P+](O)(O)O.CCc1nccn1C
InChIInChI=1S/C6H10N2.C2H8O3P/c1-3-6-7-4-5-8(6)2;1-2-6(3,4)5/h4-5H,3H2,1-2H3;3-5H,2H2,1H3/q;+1
InChIKeyLTRMKJSYMHRXKI-UHFFFAOYSA-N
MW221.22 g/mol
LogP0.73
Rot. Bonds2

About 2-ethyl-1-methylimidazole;ethyl(trihydroxy)phosphanium

2-ethyl-1-methylimidazole;ethyl(trihydroxy)phosphanium (PubChem CID 174757497) has the molecular formula C8H18N2O3P+ and a molecular weight of 221.22 g/mol. Its IUPAC name is 2-ethyl-1-methylimidazole;ethyl(trihydroxy)phosphanium.

Molecular Properties

Compound Name2-ethyl-1-methylimidazole;ethyl(trihydroxy)phosphanium
PubChem CID174757497
Molecular FormulaC8H18N2O3P+
Molecular Weight221.22 g/mol
Exact Mass221.10
IUPAC Name2-ethyl-1-methylimidazole;ethyl(trihydroxy)phosphanium
SMILESCC[P+](O)(O)O.CCc1nccn1C
InChIInChI=1S/C6H10N2.C2H8O3P/c1-3-6-7-4-5-8(6)2;1-2-6(3,4)5/h4-5H,3H2,1-2H3;3-5H,2H2,1H3/q;+1
InChIKeyLTRMKJSYMHRXKI-UHFFFAOYSA-N
XLogP0.73
TPSA78.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-(1-methylimidazol-2-yl)heptan-3-ol
CID 114532166
2-butyl-1-methylimidazole;propan-2-ol;hydrochloride
CID 175427574
1-(1-methylimidazol-2-yl)heptane-3,4-diol
CID 103455046
2-ethyl-1-methylimidazole;N-methyl-2H-tetrazol-5-amine
CID 174901757
2-(4-bromohexyl)-1-methylimidazole
CID 79762311
N-[(1-methylimidazol-2-yl)methyl]pentan-3-amine
CID 43088152
1-[2-[bis[(1-methylimidazol-2-yl)methyl]amino]ethyl-[(1-methylimidazol-2-yl)methyl]amino]propan-1-ol
CID 66810197
4-methoxy-1-(1-methylimidazol-2-yl)hexan-3-ol
CID 114529861
azane;1-methyl-2-propylimidazole
CID 174525892
1,1-diethoxy-3-(1-methylimidazol-2-yl)propan-2-ol
CID 79753127
3-ethyl-1-(1-methylimidazol-2-yl)pentan-2-amine
CID 115580390
2-(2-bromopentyl)-1-methylimidazole
CID 63203989

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-methylimidazole;ethyl(trihydroxy)phosphanium?
The IUPAC name of 2-ethyl-1-methylimidazole;ethyl(trihydroxy)phosphanium (CID 174757497) is 2-ethyl-1-methylimidazole;ethyl(trihydroxy)phosphanium.
What is the SMILES notation for 2-ethyl-1-methylimidazole;ethyl(trihydroxy)phosphanium?
The canonical SMILES for 2-ethyl-1-methylimidazole;ethyl(trihydroxy)phosphanium is CC[P+](O)(O)O.CCc1nccn1C.
What is the InChIKey of 2-ethyl-1-methylimidazole;ethyl(trihydroxy)phosphanium?
The InChIKey is LTRMKJSYMHRXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2.C2H8O3P/c1-3-6-7-4-5-8(6)2;1-2-6(3,4)5/h4-5H,3H2,1-2H3;3-5H,2H2,1H3/q;+1.
What are the key properties of 2-ethyl-1-methylimidazole;ethyl(trihydroxy)phosphanium?
2-ethyl-1-methylimidazole;ethyl(trihydroxy)phosphanium has a molecular weight of 221.22 g/mol, XLogP of 0.73, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-methylimidazole;ethyl(trihydroxy)phosphanium is sourced from PubChem (CID 174757497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).