(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,3-dimethyl-2-(2-methylphenyl)imidazol-1-ium;1,3-dimethyl-2-[(2-methylphenyl)methyl]imidazol-1-ium;ethane;methane;1-methyl-2-[(2-methylphenyl)methyl]pyridin-1-ium;1-methyl-6-[(2-methylphenyl)methyl]pyrimidin-1-ium;1-methyl-2-(2-methylphenyl)pyrazin-1-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-6-(2-methylphenyl)pyrimidin-1-ium;3-methyl-2-(2-methylphenyl)-1,3-thiazol-3-ium;1-methyl-2-(2-methylphenyl)-1,3,5-triazin-1-ium;(2Z,4Z)-3,4,5-trimethylhepta-2,4-diene

C201H358N20S+10 — CID 157171895

IUPAC(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,3-dimethyl-2-(2-methylphenyl)imidazol-1-ium;1,3-dimethyl-2-[(2-methylphenyl)methyl]imidazol-1-ium;ethane;methane;1-methyl-2-[(2-methylphenyl)methyl]pyridin-1-ium;1-methyl-6-[(2-methylphenyl)methyl]pyrimidin-1-ium;1-methyl-2-(2-methylphenyl)pyrazin-1-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-6-(2-methylphenyl)pyrimidin-1-ium;3-methyl-2-(2-methylphenyl)-1,3-thiazol-3-ium;1-methyl-2-(2-methylphenyl)-1,3,5-triazin-1-ium;(2Z,4Z)-3,4,5-trimethylhepta-2,4-diene
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C/C=C(C)\C(C)=C(\C)CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccccc1-c1cccc[n+]1C.Cc1ccccc1-c1ccnc[n+]1C.Cc1ccccc1-c1cncc[n+]1C.Cc1ccccc1-c1n(C)cc[n+]1C.Cc1ccccc1-c1ncnc[n+]1C.Cc1ccccc1-c1scc[n+]1C.Cc1ccccc1-n1ccc[n+]1C.Cc1ccccc1Cc1cccc[n+]1C.Cc1ccccc1Cc1ccnc[n+]1C.Cc1ccccc1Cc1n(C)cc[n+]1C.Cc1ccccc1N1C=CN(C)[C@@H]1C
InChIInChI=1S/C14H16N.C13H17N2.C13H15N2.C13H14N.C12H15N2.C12H16N2.2C12H13N2.C11H12N3.C11H13N2.C11H12NS.C10H18.22C2H6.13CH4/c1-12-7-3-4-8-13(12)11-14-9-5-6-10-15(14)2;1-11-6-4-5-7-12(11)10-13-14(2)8-9-15(13)3;1-11-5-3-4-6-12(11)9-13-7-8-14-10-15(13)2;1-11-7-3-4-8-12(11)13-9-5-6-10-14(13)2;1-10-6-4-5-7-11(10)12-13(2)8-9-14(12)3;1-10-6-4-5-7-12(10)14-9-8-13(3)11(14)2;1-10-5-3-4-6-11(10)12-9-13-7-8-14(12)2;1-10-5-3-4-6-11(10)12-7-8-13-9-14(12)2;1-9-5-3-4-6-10(9)11-13-7-12-8-14(11)2;1-10-6-3-4-7-11(10)13-9-5-8-12(13)2;1-9-5-3-4-6-10(9)11-12(2)7-8-13-11;1-6-8(3)10(5)9(4)7-2;22*1-2;;;;;;;;;;;;;/h3-10H,11H2,1-2H3;4-9H,10H2,1-3H3;3-8,10H,9H2,1-2H3;3-10H,1-2H3;4-9H,1-3H3;4-9,11H,1-3H3;2*3-9H,1-2H3;3-8H,1-2H3;3-9H,1-2H3;3-8H,1-2H3;6H,7H2,1-5H3;22*1-2H3;13*1H4/q5*+1;;5*+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/b;;;;;;;;;;;8-6-,10-9-;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/t;;;;;11-;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/m.....0........................................./s1
InChIKeyQAEBNRPDWCZJBZ-WOACYNNESA-N
MW3087.28 g/mol
LogP56.58
Rot. Bonds16

About (2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,3-dimethyl-2-(2-methylphenyl)imidazol-1-ium;1,3-dimethyl-2-[(2-methylphenyl)methyl]imidazol-1-ium;ethane;methane;1-methyl-2-[(2-methylphenyl)methyl]pyridin-1-ium;1-methyl-6-[(2-methylphenyl)methyl]pyrimidin-1-ium;1-methyl-2-(2-methylphenyl)pyrazin-1-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-6-(2-methylphenyl)pyrimidin-1-ium;3-methyl-2-(2-methylphenyl)-1,3-thiazol-3-ium;1-methyl-2-(2-methylphenyl)-1,3,5-triazin-1-ium;(2Z,4Z)-3,4,5-trimethylhepta-2,4-diene

(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,3-dimethyl-2-(2-methylphenyl)imidazol-1-ium;1,3-dimethyl-2-[(2-methylphenyl)methyl]imidazol-1-ium;ethane;methane;1-methyl-2-[(2-methylphenyl)methyl]pyridin-1-ium;1-methyl-6-[(2-methylphenyl)methyl]pyrimidin-1-ium;1-methyl-2-(2-methylphenyl)pyrazin-1-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-6-(2-methylphenyl)pyrimidin-1-ium;3-methyl-2-(2-methylphenyl)-1,3-thiazol-3-ium;1-methyl-2-(2-methylphenyl)-1,3,5-triazin-1-ium;(2Z,4Z)-3,4,5-trimethylhepta-2,4-diene (PubChem CID 157171895) has the molecular formula C201H358N20S+10 and a molecular weight of 3087.28 g/mol. Its IUPAC name is (2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,3-dimethyl-2-(2-methylphenyl)imidazol-1-ium;1,3-dimethyl-2-[(2-methylphenyl)methyl]imidazol-1-ium;ethane;methane;1-methyl-2-[(2-methylphenyl)methyl]pyridin-1-ium;1-methyl-6-[(2-methylphenyl)methyl]pyrimidin-1-ium;1-methyl-2-(2-methylphenyl)pyrazin-1-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-6-(2-methylphenyl)pyrimidin-1-ium;3-methyl-2-(2-methylphenyl)-1,3-thiazol-3-ium;1-methyl-2-(2-methylphenyl)-1,3,5-triazin-1-ium;(2Z,4Z)-3,4,5-trimethylhepta-2,4-diene.

Molecular Properties

Compound Name(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,3-dimethyl-2-(2-methylphenyl)imidazol-1-ium;1,3-dimethyl-2-[(2-methylphenyl)methyl]imidazol-1-ium;ethane;methane;1-methyl-2-[(2-methylphenyl)methyl]pyridin-1-ium;1-methyl-6-[(2-methylphenyl)methyl]pyrimidin-1-ium;1-methyl-2-(2-methylphenyl)pyrazin-1-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-6-(2-methylphenyl)pyrimidin-1-ium;3-methyl-2-(2-methylphenyl)-1,3-thiazol-3-ium;1-methyl-2-(2-methylphenyl)-1,3,5-triazin-1-ium;(2Z,4Z)-3,4,5-trimethylhepta-2,4-diene
PubChem CID157171895
Molecular FormulaC201H358N20S+10
Molecular Weight3087.28 g/mol
Exact Mass3084.83
IUPAC Name(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,3-dimethyl-2-(2-methylphenyl)imidazol-1-ium;1,3-dimethyl-2-[(2-methylphenyl)methyl]imidazol-1-ium;ethane;methane;1-methyl-2-[(2-methylphenyl)methyl]pyridin-1-ium;1-methyl-6-[(2-methylphenyl)methyl]pyrimidin-1-ium;1-methyl-2-(2-methylphenyl)pyrazin-1-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-6-(2-methylphenyl)pyrimidin-1-ium;3-methyl-2-(2-methylphenyl)-1,3-thiazol-3-ium;1-methyl-2-(2-methylphenyl)-1,3,5-triazin-1-ium;(2Z,4Z)-3,4,5-trimethylhepta-2,4-diene
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C/C=C(C)\C(C)=C(\C)CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccccc1-c1cccc[n+]1C.Cc1ccccc1-c1ccnc[n+]1C.Cc1ccccc1-c1cncc[n+]1C.Cc1ccccc1-c1n(C)cc[n+]1C.Cc1ccccc1-c1ncnc[n+]1C.Cc1ccccc1-c1scc[n+]1C.Cc1ccccc1-n1ccc[n+]1C.Cc1ccccc1Cc1cccc[n+]1C.Cc1ccccc1Cc1ccnc[n+]1C.Cc1ccccc1Cc1n(C)cc[n+]1C.Cc1ccccc1N1C=CN(C)[C@@H]1C
InChIInChI=1S/C14H16N.C13H17N2.C13H15N2.C13H14N.C12H15N2.C12H16N2.2C12H13N2.C11H12N3.C11H13N2.C11H12NS.C10H18.22C2H6.13CH4/c1-12-7-3-4-8-13(12)11-14-9-5-6-10-15(14)2;1-11-6-4-5-7-12(11)10-13-14(2)8-9-15(13)3;1-11-5-3-4-6-12(11)9-13-7-8-14-10-15(13)2;1-11-7-3-4-8-12(11)13-9-5-6-10-14(13)2;1-10-6-4-5-7-11(10)12-13(2)8-9-14(12)3;1-10-6-4-5-7-12(10)14-9-8-13(3)11(14)2;1-10-5-3-4-6-11(10)12-9-13-7-8-14(12)2;1-10-5-3-4-6-11(10)12-7-8-13-9-14(12)2;1-9-5-3-4-6-10(9)11-13-7-12-8-14(11)2;1-10-6-3-4-7-11(10)13-9-5-8-12(13)2;1-9-5-3-4-6-10(9)11-12(2)7-8-13-11;1-6-8(3)10(5)9(4)7-2;22*1-2;;;;;;;;;;;;;/h3-10H,11H2,1-2H3;4-9H,10H2,1-3H3;3-8,10H,9H2,1-2H3;3-10H,1-2H3;4-9H,1-3H3;4-9,11H,1-3H3;2*3-9H,1-2H3;3-8H,1-2H3;3-9H,1-2H3;3-8H,1-2H3;6H,7H2,1-5H3;22*1-2H3;13*1H4/q5*+1;;5*+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/b;;;;;;;;;;;8-6-,10-9-;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/t;;;;;11-;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/m.....0........................................./s1
InChIKeyQAEBNRPDWCZJBZ-WOACYNNESA-N
XLogP56.58
TPSA124.52 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds16
Heavy Atoms222
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003087.28
LogP ≤ 556.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze (2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,3-dimethyl-2-(2-methylphenyl)imidazol-1-ium;1,3-dimethyl-2-[(2-methylphenyl)methyl]imidazol-1-ium;ethane;methane;1-methyl-2-[(2-methylphenyl)methyl]pyridin-1-ium;1-methyl-6-[(2-methylphenyl)methyl]pyrimidin-1-ium;1-methyl-2-(2-methylphenyl)pyrazin-1-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-6-(2-methylphenyl)pyrimidin-1-ium;3-methyl-2-(2-methylphenyl)-1,3-thiazol-3-ium;1-methyl-2-(2-methylphenyl)-1,3,5-triazin-1-ium;(2Z,4Z)-3,4,5-trimethylhepta-2,4-diene 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

US11459321, Example 67
CID 138571494
2-[6-[3-(4-Fluorophenyl)-1-tritylpyrazol-4-yl]-8-methylimidazo[1,2-a]pyridin-3-yl]-1,3-thiazole
CID 22031239
2-[6-[3-(4-Fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole
CID 22031270
2-[6-[3-(2,6-Difluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-methylsulfanyl-1,3-thiazole
CID 22031973
2-[8-Fluoro-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole
CID 22032205
2-[6-[1-[Cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-8-methylimidazo[1,2-a]pyridin-3-yl]-1,3-thiazole
CID 68812186
2-[6-[1-[Cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-8-fluoroimidazo[1,2-a]pyridin-3-yl]-1,3-thiazole
CID 68812430
2-[6-[1-[Cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole
CID 68813812
1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]-N-[(1-methyl-5-phenylimidazol-2-yl)methyl]-N-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]ethanamine
CID 86288250
2-[4-[2-[[3-[7-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-4-ethyl-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-5-yl]pyrazol-1-yl]methyl]-4-ethyl-5-(1-methylpyrazol-3-yl)-4H-[1,2,4]triazolo[4,3-f]pteridin-10-ium-7-yl]-1-methylpyrazol-3-yl]-1,3-thiazole
CID 123481644
CID 157551886
CID 157551886
2,3-Diphenylindazole;1-fluoro-2-phenylimidazo[1,2-a]quinoline;2-[2-fluoro-4-(trifluoromethyl)phenyl]pyridine;2-naphthalen-2-ylimidazo[1,2-a]pyridine;2-phenyl-1,3-benzothiazole;2-phenylimidazo[1,2-a]pyridine;1-phenylindazole;2-phenylindazole;1-phenylisoquinoline;3-phenylisoquinoline;2-phenylpyrazolo[1,5-a]pyridine;2-phenylpyridine;2-phenyl-3-(trifluoromethyl)imidazo[1,2-a]pyridine;2-thiophen-2-ylpyridine
CID 157653295

Frequently Asked Questions

What is the IUPAC name of (2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,3-dimethyl-2-(2-methylphenyl)imidazol-1-ium;1,3-dimethyl-2-[(2-methylphenyl)methyl]imidazol-1-ium;ethane;methane;1-methyl-2-[(2-methylphenyl)methyl]pyridin-1-ium;1-methyl-6-[(2-methylphenyl)methyl]pyrimidin-1-ium;1-methyl-2-(2-methylphenyl)pyrazin-1-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-6-(2-methylphenyl)pyrimidin-1-ium;3-methyl-2-(2-methylphenyl)-1,3-thiazol-3-ium;1-methyl-2-(2-methylphenyl)-1,3,5-triazin-1-ium;(2Z,4Z)-3,4,5-trimethylhepta-2,4-diene?
The IUPAC name of (2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,3-dimethyl-2-(2-methylphenyl)imidazol-1-ium;1,3-dimethyl-2-[(2-methylphenyl)methyl]imidazol-1-ium;ethane;methane;1-methyl-2-[(2-methylphenyl)methyl]pyridin-1-ium;1-methyl-6-[(2-methylphenyl)methyl]pyrimidin-1-ium;1-methyl-2-(2-methylphenyl)pyrazin-1-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-6-(2-methylphenyl)pyrimidin-1-ium;3-methyl-2-(2-methylphenyl)-1,3-thiazol-3-ium;1-methyl-2-(2-methylphenyl)-1,3,5-triazin-1-ium;(2Z,4Z)-3,4,5-trimethylhepta-2,4-diene (CID 157171895) is (2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,3-dimethyl-2-(2-methylphenyl)imidazol-1-ium;1,3-dimethyl-2-[(2-methylphenyl)methyl]imidazol-1-ium;ethane;methane;1-methyl-2-[(2-methylphenyl)methyl]pyridin-1-ium;1-methyl-6-[(2-methylphenyl)methyl]pyrimidin-1-ium;1-methyl-2-(2-methylphenyl)pyrazin-1-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-6-(2-methylphenyl)pyrimidin-1-ium;3-methyl-2-(2-methylphenyl)-1,3-thiazol-3-ium;1-methyl-2-(2-methylphenyl)-1,3,5-triazin-1-ium;(2Z,4Z)-3,4,5-trimethylhepta-2,4-diene.
What is the SMILES notation for (2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,3-dimethyl-2-(2-methylphenyl)imidazol-1-ium;1,3-dimethyl-2-[(2-methylphenyl)methyl]imidazol-1-ium;ethane;methane;1-methyl-2-[(2-methylphenyl)methyl]pyridin-1-ium;1-methyl-6-[(2-methylphenyl)methyl]pyrimidin-1-ium;1-methyl-2-(2-methylphenyl)pyrazin-1-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-6-(2-methylphenyl)pyrimidin-1-ium;3-methyl-2-(2-methylphenyl)-1,3-thiazol-3-ium;1-methyl-2-(2-methylphenyl)-1,3,5-triazin-1-ium;(2Z,4Z)-3,4,5-trimethylhepta-2,4-diene?
The canonical SMILES for (2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,3-dimethyl-2-(2-methylphenyl)imidazol-1-ium;1,3-dimethyl-2-[(2-methylphenyl)methyl]imidazol-1-ium;ethane;methane;1-methyl-2-[(2-methylphenyl)methyl]pyridin-1-ium;1-methyl-6-[(2-methylphenyl)methyl]pyrimidin-1-ium;1-methyl-2-(2-methylphenyl)pyrazin-1-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-6-(2-methylphenyl)pyrimidin-1-ium;3-methyl-2-(2-methylphenyl)-1,3-thiazol-3-ium;1-methyl-2-(2-methylphenyl)-1,3,5-triazin-1-ium;(2Z,4Z)-3,4,5-trimethylhepta-2,4-diene is C.C.C.C.C.C.C.C.C.C.C.C.C.C/C=C(C)\C(C)=C(\C)CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccccc1-c1cccc[n+]1C.Cc1ccccc1-c1ccnc[n+]1C.Cc1ccccc1-c1cncc[n+]1C.Cc1ccccc1-c1n(C)cc[n+]1C.Cc1ccccc1-c1ncnc[n+]1C.Cc1ccccc1-c1scc[n+]1C.Cc1ccccc1-n1ccc[n+]1C.Cc1ccccc1Cc1cccc[n+]1C.Cc1ccccc1Cc1ccnc[n+]1C.Cc1ccccc1Cc1n(C)cc[n+]1C.Cc1ccccc1N1C=CN(C)[C@@H]1C.
What is the InChIKey of (2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,3-dimethyl-2-(2-methylphenyl)imidazol-1-ium;1,3-dimethyl-2-[(2-methylphenyl)methyl]imidazol-1-ium;ethane;methane;1-methyl-2-[(2-methylphenyl)methyl]pyridin-1-ium;1-methyl-6-[(2-methylphenyl)methyl]pyrimidin-1-ium;1-methyl-2-(2-methylphenyl)pyrazin-1-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-6-(2-methylphenyl)pyrimidin-1-ium;3-methyl-2-(2-methylphenyl)-1,3-thiazol-3-ium;1-methyl-2-(2-methylphenyl)-1,3,5-triazin-1-ium;(2Z,4Z)-3,4,5-trimethylhepta-2,4-diene?
The InChIKey is QAEBNRPDWCZJBZ-WOACYNNESA-N. The full InChI is InChI=1S/C14H16N.C13H17N2.C13H15N2.C13H14N.C12H15N2.C12H16N2.2C12H13N2.C11H12N3.C11H13N2.C11H12NS.C10H18.22C2H6.13CH4/c1-12-7-3-4-8-13(12)11-14-9-5-6-10-15(14)2;1-11-6-4-5-7-12(11)10-13-14(2)8-9-15(13)3;1-11-5-3-4-6-12(11)9-13-7-8-14-10-15(13)2;1-11-7-3-4-8-12(11)13-9-5-6-10-14(13)2;1-10-6-4-5-7-11(10)12-13(2)8-9-14(12)3;1-10-6-4-5-7-12(10)14-9-8-13(3)11(14)2;1-10-5-3-4-6-11(10)12-9-13-7-8-14(12)2;1-10-5-3-4-6-11(10)12-7-8-13-9-14(12)2;1-9-5-3-4-6-10(9)11-13-7-12-8-14(11)2;1-10-6-3-4-7-11(10)13-9-5-8-12(13)2;1-9-5-3-4-6-10(9)11-12(2)7-8-13-11;1-6-8(3)10(5)9(4)7-2;22*1-2;;;;;;;;;;;;;/h3-10H,11H2,1-2H3;4-9H,10H2,1-3H3;3-8,10H,9H2,1-2H3;3-10H,1-2H3;4-9H,1-3H3;4-9,11H,1-3H3;2*3-9H,1-2H3;3-8H,1-2H3;3-9H,1-2H3;3-8H,1-2H3;6H,7H2,1-5H3;22*1-2H3;13*1H4/q5*+1;;5*+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/b;;;;;;;;;;;8-6-,10-9-;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/t;;;;;11-;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/m.....0........................................./s1.
What are the key properties of (2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,3-dimethyl-2-(2-methylphenyl)imidazol-1-ium;1,3-dimethyl-2-[(2-methylphenyl)methyl]imidazol-1-ium;ethane;methane;1-methyl-2-[(2-methylphenyl)methyl]pyridin-1-ium;1-methyl-6-[(2-methylphenyl)methyl]pyrimidin-1-ium;1-methyl-2-(2-methylphenyl)pyrazin-1-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-6-(2-methylphenyl)pyrimidin-1-ium;3-methyl-2-(2-methylphenyl)-1,3-thiazol-3-ium;1-methyl-2-(2-methylphenyl)-1,3,5-triazin-1-ium;(2Z,4Z)-3,4,5-trimethylhepta-2,4-diene?
(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,3-dimethyl-2-(2-methylphenyl)imidazol-1-ium;1,3-dimethyl-2-[(2-methylphenyl)methyl]imidazol-1-ium;ethane;methane;1-methyl-2-[(2-methylphenyl)methyl]pyridin-1-ium;1-methyl-6-[(2-methylphenyl)methyl]pyrimidin-1-ium;1-methyl-2-(2-methylphenyl)pyrazin-1-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-6-(2-methylphenyl)pyrimidin-1-ium;3-methyl-2-(2-methylphenyl)-1,3-thiazol-3-ium;1-methyl-2-(2-methylphenyl)-1,3,5-triazin-1-ium;(2Z,4Z)-3,4,5-trimethylhepta-2,4-diene has a molecular weight of 3087.28 g/mol, XLogP of 56.58, 16 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,3-dimethyl-2-(2-methylphenyl)imidazol-1-ium;1,3-dimethyl-2-[(2-methylphenyl)methyl]imidazol-1-ium;ethane;methane;1-methyl-2-[(2-methylphenyl)methyl]pyridin-1-ium;1-methyl-6-[(2-methylphenyl)methyl]pyrimidin-1-ium;1-methyl-2-(2-methylphenyl)pyrazin-1-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-6-(2-methylphenyl)pyrimidin-1-ium;3-methyl-2-(2-methylphenyl)-1,3-thiazol-3-ium;1-methyl-2-(2-methylphenyl)-1,3,5-triazin-1-ium;(2Z,4Z)-3,4,5-trimethylhepta-2,4-diene is sourced from PubChem (CID 157171895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).