1,3-dimethyl-2-(2-methylphenyl)imidazol-1-ium;ethane;tris(yttrium)

C16H27N2Y3+ — CID 158292360

IUPAC1,3-dimethyl-2-(2-methylphenyl)imidazol-1-ium;ethane;tris(yttrium)
SMILESCC.CC.Cc1ccccc1-c1n(C)cc[n+]1C.[Y].[Y].[Y]
InChIInChI=1S/C12H15N2.2C2H6.3Y/c1-10-6-4-5-7-11(10)12-13(2)8-9-14(12)3;2*1-2;;;/h4-9H,1-3H3;2*1-2H3;;;/q+1;;;;;
InChIKeyDWFTUGIHMAEOHV-UHFFFAOYSA-N
MW514.12 g/mol
LogP3.87
Rot. Bonds1

About 1,3-dimethyl-2-(2-methylphenyl)imidazol-1-ium;ethane;tris(yttrium)

1,3-dimethyl-2-(2-methylphenyl)imidazol-1-ium;ethane;tris(yttrium) (PubChem CID 158292360) has the molecular formula C16H27N2Y3+ and a molecular weight of 514.12 g/mol. Its IUPAC name is 1,3-dimethyl-2-(2-methylphenyl)imidazol-1-ium;ethane;tris(yttrium).

Molecular Properties

Compound Name1,3-dimethyl-2-(2-methylphenyl)imidazol-1-ium;ethane;tris(yttrium)
PubChem CID158292360
Molecular FormulaC16H27N2Y3+
Molecular Weight514.12 g/mol
Exact Mass513.93
IUPAC Name1,3-dimethyl-2-(2-methylphenyl)imidazol-1-ium;ethane;tris(yttrium)
SMILESCC.CC.Cc1ccccc1-c1n(C)cc[n+]1C.[Y].[Y].[Y]
InChIInChI=1S/C12H15N2.2C2H6.3Y/c1-10-6-4-5-7-11(10)12-13(2)8-9-14(12)3;2*1-2;;;/h4-9H,1-3H3;2*1-2H3;;;/q+1;;;;;
InChIKeyDWFTUGIHMAEOHV-UHFFFAOYSA-N
XLogP3.87
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.12
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1,3-dimethyl-2-(2-methylphenyl)imidazol-1-ium;ethane;tris(yttrium) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1,3-dimethylimidazol-1-ium-2-yl)-2-methylpyridine;3-(1,3-dimethylimidazol-1-ium-2-yl)-4-methylpyridine;4-(1,3-dimethylimidazol-1-ium-2-yl)-3-methylpyridine;4-(1,3-dimethylimidazol-1-ium-2-yl)-5-methylpyrimidine;5-(1,3-dimethylimidazol-1-ium-2-yl)-4-methylpyrimidine;1,3-dimethyl-2-(2-methylphenyl)imidazol-1-ium;ethane
CID 162214427
1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium
CID 58240311
6-(1,3-dimethylimidazol-1-ium-2-yl)-5-methylquinoline
CID 140917884
1-(2,6-dipropylphenyl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium
CID 149275149
2-(2,4-difluoro-6-methylphenyl)-1,3-dimethylimidazol-1-ium;1,3-dimethyl-2-[2-methyl-5-(trifluoromethyl)phenyl]imidazol-1-ium;1-(2,6-dimethylphenyl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium;2-(4-fluoro-2-methylphenyl)-1,3-dimethylimidazol-1-ium;1-methyl-2-(2-methylphenyl)-3-phenylimidazol-1-ium
CID 158991004
4-(1,3-dimethylimidazol-1-ium-2-yl)aniline
CID 175314337
1-[2,6-bis(2-methylpropyl)-4-phenylphenyl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium
CID 123883372
1,2,3-trimethylimidazol-1-ium
CID 158300454
1,3-dimethyl-2-(6-methyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-yl)imidazol-1-ium
CID 176787528
2-iodo-1,3-dimethylimidazol-1-ium
CID 12009773
2-chloro-1,3-dimethylimidazol-1-ium chloride
CID 11126651
2-(1,3-dimethylimidazol-1-ium-2-yl)-1-ethyl-3-methylimidazol-3-ium
CID 91502560

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-(2-methylphenyl)imidazol-1-ium;ethane;tris(yttrium)?
The IUPAC name of 1,3-dimethyl-2-(2-methylphenyl)imidazol-1-ium;ethane;tris(yttrium) (CID 158292360) is 1,3-dimethyl-2-(2-methylphenyl)imidazol-1-ium;ethane;tris(yttrium).
What is the SMILES notation for 1,3-dimethyl-2-(2-methylphenyl)imidazol-1-ium;ethane;tris(yttrium)?
The canonical SMILES for 1,3-dimethyl-2-(2-methylphenyl)imidazol-1-ium;ethane;tris(yttrium) is CC.CC.Cc1ccccc1-c1n(C)cc[n+]1C.[Y].[Y].[Y].
What is the InChIKey of 1,3-dimethyl-2-(2-methylphenyl)imidazol-1-ium;ethane;tris(yttrium)?
The InChIKey is DWFTUGIHMAEOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N2.2C2H6.3Y/c1-10-6-4-5-7-11(10)12-13(2)8-9-14(12)3;2*1-2;;;/h4-9H,1-3H3;2*1-2H3;;;/q+1;;;;;.
What are the key properties of 1,3-dimethyl-2-(2-methylphenyl)imidazol-1-ium;ethane;tris(yttrium)?
1,3-dimethyl-2-(2-methylphenyl)imidazol-1-ium;ethane;tris(yttrium) has a molecular weight of 514.12 g/mol, XLogP of 3.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-(2-methylphenyl)imidazol-1-ium;ethane;tris(yttrium) is sourced from PubChem (CID 158292360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).