cumene;1,4-dimethylimidazole;ethane;ethanol;1-(2-fluoro-4-propan-2-ylphenyl)-4-methylimidazole;3-methoxy-2-(4-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-methoxy-3-(4-methylimidazol-1-yl)-6-propan-2-ylpyridine;3-methoxy-2-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine;4-methoxy-5-(4-methylimidazol-1-yl)-2-propan-2-ylpyridine;1-methylimidazole;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine;4-methyl-1-(2-methyl-4-propan-2-ylphenyl)imidazole;(3-propan-2-ylphenyl)methanol

C122H167FN24O6 — CID 159962840

IUPACcumene;1,4-dimethylimidazole;ethane;ethanol;1-(2-fluoro-4-propan-2-ylphenyl)-4-methylimidazole;3-methoxy-2-(4-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-methoxy-3-(4-methylimidazol-1-yl)-6-propan-2-ylpyridine;3-methoxy-2-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine;4-methoxy-5-(4-methylimidazol-1-yl)-2-propan-2-ylpyridine;1-methylimidazole;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine;4-methyl-1-(2-methyl-4-propan-2-ylphenyl)imidazole;(3-propan-2-ylphenyl)methanol
SMILESCC.CC(C)c1cccc(CO)c1.CC(C)c1ccccc1.CCO.COc1cc(C(C)C)cnc1-n1cnc(C)c1.COc1cc(C(C)C)ncc1-n1cnc(C)c1.COc1nc(C(C)C)ccc1-n1cnc(C)c1.COc1nc(C(C)C)cnc1-n1cnc(C)c1.Cc1cn(-c2ccc(C(C)C)cc2C)cn1.Cc1cn(-c2ccc(C(C)C)cc2F)cn1.Cc1cn(-c2ccc(C(C)C)cn2)cn1.Cc1cn(C)cn1.Cn1ccnc1
InChIInChI=1S/C14H18N2.C13H15FN2.3C13H17N3O.C12H16N4O.C12H15N3.C10H14O.C9H12.C5H8N2.C4H6N2.C2H6O.C2H6/c1-10(2)13-5-6-14(11(3)7-13)16-8-12(4)15-9-16;1-9(2)11-4-5-13(12(14)6-11)16-7-10(3)15-8-16;1-9(2)11-5-13(17-4)12(6-14-11)16-7-10(3)15-8-16;1-9(2)11-5-12(17-4)13(14-6-11)16-7-10(3)15-8-16;1-9(2)11-5-6-12(13(15-11)17-4)16-7-10(3)14-8-16;1-8(2)10-5-13-11(12(15-10)17-4)16-6-9(3)14-7-16;1-9(2)11-4-5-12(13-6-11)15-7-10(3)14-8-15;1-8(2)10-5-3-4-9(6-10)7-11;1-8(2)9-6-4-3-5-7-9;1-5-3-7(2)4-6-5;1-6-3-2-5-4-6;1-2-3;1-2/h5-10H,1-4H3;4-9H,1-3H3;3*5-9H,1-4H3;5-8H,1-4H3;4-9H,1-3H3;3-6,8,11H,7H2,1-2H3;3-8H,1-2H3;3-4H,1-2H3;2-4H,1H3;3H,2H2,1H3;1-2H3
InChIKeyODNZERBIQXCXOK-UHFFFAOYSA-N
MW2084.84 g/mol
LogP27.27
Rot. Bonds21

About cumene;1,4-dimethylimidazole;ethane;ethanol;1-(2-fluoro-4-propan-2-ylphenyl)-4-methylimidazole;3-methoxy-2-(4-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-methoxy-3-(4-methylimidazol-1-yl)-6-propan-2-ylpyridine;3-methoxy-2-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine;4-methoxy-5-(4-methylimidazol-1-yl)-2-propan-2-ylpyridine;1-methylimidazole;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine;4-methyl-1-(2-methyl-4-propan-2-ylphenyl)imidazole;(3-propan-2-ylphenyl)methanol

cumene;1,4-dimethylimidazole;ethane;ethanol;1-(2-fluoro-4-propan-2-ylphenyl)-4-methylimidazole;3-methoxy-2-(4-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-methoxy-3-(4-methylimidazol-1-yl)-6-propan-2-ylpyridine;3-methoxy-2-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine;4-methoxy-5-(4-methylimidazol-1-yl)-2-propan-2-ylpyridine;1-methylimidazole;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine;4-methyl-1-(2-methyl-4-propan-2-ylphenyl)imidazole;(3-propan-2-ylphenyl)methanol (PubChem CID 159962840) has the molecular formula C122H167FN24O6 and a molecular weight of 2084.84 g/mol. Its IUPAC name is cumene;1,4-dimethylimidazole;ethane;ethanol;1-(2-fluoro-4-propan-2-ylphenyl)-4-methylimidazole;3-methoxy-2-(4-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-methoxy-3-(4-methylimidazol-1-yl)-6-propan-2-ylpyridine;3-methoxy-2-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine;4-methoxy-5-(4-methylimidazol-1-yl)-2-propan-2-ylpyridine;1-methylimidazole;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine;4-methyl-1-(2-methyl-4-propan-2-ylphenyl)imidazole;(3-propan-2-ylphenyl)methanol.

Molecular Properties

Compound Namecumene;1,4-dimethylimidazole;ethane;ethanol;1-(2-fluoro-4-propan-2-ylphenyl)-4-methylimidazole;3-methoxy-2-(4-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-methoxy-3-(4-methylimidazol-1-yl)-6-propan-2-ylpyridine;3-methoxy-2-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine;4-methoxy-5-(4-methylimidazol-1-yl)-2-propan-2-ylpyridine;1-methylimidazole;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine;4-methyl-1-(2-methyl-4-propan-2-ylphenyl)imidazole;(3-propan-2-ylphenyl)methanol
PubChem CID159962840
Molecular FormulaC122H167FN24O6
Molecular Weight2084.84 g/mol
Exact Mass2083.35
IUPAC Namecumene;1,4-dimethylimidazole;ethane;ethanol;1-(2-fluoro-4-propan-2-ylphenyl)-4-methylimidazole;3-methoxy-2-(4-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-methoxy-3-(4-methylimidazol-1-yl)-6-propan-2-ylpyridine;3-methoxy-2-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine;4-methoxy-5-(4-methylimidazol-1-yl)-2-propan-2-ylpyridine;1-methylimidazole;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine;4-methyl-1-(2-methyl-4-propan-2-ylphenyl)imidazole;(3-propan-2-ylphenyl)methanol
SMILESCC.CC(C)c1cccc(CO)c1.CC(C)c1ccccc1.CCO.COc1cc(C(C)C)cnc1-n1cnc(C)c1.COc1cc(C(C)C)ncc1-n1cnc(C)c1.COc1nc(C(C)C)ccc1-n1cnc(C)c1.COc1nc(C(C)C)cnc1-n1cnc(C)c1.Cc1cn(-c2ccc(C(C)C)cc2C)cn1.Cc1cn(-c2ccc(C(C)C)cc2F)cn1.Cc1cn(-c2ccc(C(C)C)cn2)cn1.Cc1cn(C)cn1.Cn1ccnc1
InChIInChI=1S/C14H18N2.C13H15FN2.3C13H17N3O.C12H16N4O.C12H15N3.C10H14O.C9H12.C5H8N2.C4H6N2.C2H6O.C2H6/c1-10(2)13-5-6-14(11(3)7-13)16-8-12(4)15-9-16;1-9(2)11-4-5-13(12(14)6-11)16-7-10(3)15-8-16;1-9(2)11-5-13(17-4)12(6-14-11)16-7-10(3)15-8-16;1-9(2)11-5-12(17-4)13(14-6-11)16-7-10(3)15-8-16;1-9(2)11-5-6-12(13(15-11)17-4)16-7-10(3)14-8-16;1-8(2)10-5-13-11(12(15-10)17-4)16-6-9(3)14-7-16;1-9(2)11-4-5-12(13-6-11)15-7-10(3)14-8-15;1-8(2)10-5-3-4-9(6-10)7-11;1-8(2)9-6-4-3-5-7-9;1-5-3-7(2)4-6-5;1-6-3-2-5-4-6;1-2-3;1-2/h5-10H,1-4H3;4-9H,1-3H3;3*5-9H,1-4H3;5-8H,1-4H3;4-9H,1-3H3;3-6,8,11H,7H2,1-2H3;3-8H,1-2H3;3-4H,1-2H3;2-4H,1H3;3H,2H2,1H3;1-2H3
InChIKeyODNZERBIQXCXOK-UHFFFAOYSA-N
XLogP27.27
TPSA315.10 Ų
H-Bond Donors2
H-Bond Acceptors30
Rotatable Bonds21
Heavy Atoms153
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002084.84
LogP ≤ 527.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1030

Analyze cumene;1,4-dimethylimidazole;ethane;ethanol;1-(2-fluoro-4-propan-2-ylphenyl)-4-methylimidazole;3-methoxy-2-(4-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-methoxy-3-(4-methylimidazol-1-yl)-6-propan-2-ylpyridine;3-methoxy-2-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine;4-methoxy-5-(4-methylimidazol-1-yl)-2-propan-2-ylpyridine;1-methylimidazole;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine;4-methyl-1-(2-methyl-4-propan-2-ylphenyl)imidazole;(3-propan-2-ylphenyl)methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of cumene;1,4-dimethylimidazole;ethane;ethanol;1-(2-fluoro-4-propan-2-ylphenyl)-4-methylimidazole;3-methoxy-2-(4-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-methoxy-3-(4-methylimidazol-1-yl)-6-propan-2-ylpyridine;3-methoxy-2-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine;4-methoxy-5-(4-methylimidazol-1-yl)-2-propan-2-ylpyridine;1-methylimidazole;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine;4-methyl-1-(2-methyl-4-propan-2-ylphenyl)imidazole;(3-propan-2-ylphenyl)methanol?
The IUPAC name of cumene;1,4-dimethylimidazole;ethane;ethanol;1-(2-fluoro-4-propan-2-ylphenyl)-4-methylimidazole;3-methoxy-2-(4-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-methoxy-3-(4-methylimidazol-1-yl)-6-propan-2-ylpyridine;3-methoxy-2-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine;4-methoxy-5-(4-methylimidazol-1-yl)-2-propan-2-ylpyridine;1-methylimidazole;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine;4-methyl-1-(2-methyl-4-propan-2-ylphenyl)imidazole;(3-propan-2-ylphenyl)methanol (CID 159962840) is cumene;1,4-dimethylimidazole;ethane;ethanol;1-(2-fluoro-4-propan-2-ylphenyl)-4-methylimidazole;3-methoxy-2-(4-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-methoxy-3-(4-methylimidazol-1-yl)-6-propan-2-ylpyridine;3-methoxy-2-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine;4-methoxy-5-(4-methylimidazol-1-yl)-2-propan-2-ylpyridine;1-methylimidazole;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine;4-methyl-1-(2-methyl-4-propan-2-ylphenyl)imidazole;(3-propan-2-ylphenyl)methanol.
What is the SMILES notation for cumene;1,4-dimethylimidazole;ethane;ethanol;1-(2-fluoro-4-propan-2-ylphenyl)-4-methylimidazole;3-methoxy-2-(4-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-methoxy-3-(4-methylimidazol-1-yl)-6-propan-2-ylpyridine;3-methoxy-2-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine;4-methoxy-5-(4-methylimidazol-1-yl)-2-propan-2-ylpyridine;1-methylimidazole;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine;4-methyl-1-(2-methyl-4-propan-2-ylphenyl)imidazole;(3-propan-2-ylphenyl)methanol?
The canonical SMILES for cumene;1,4-dimethylimidazole;ethane;ethanol;1-(2-fluoro-4-propan-2-ylphenyl)-4-methylimidazole;3-methoxy-2-(4-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-methoxy-3-(4-methylimidazol-1-yl)-6-propan-2-ylpyridine;3-methoxy-2-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine;4-methoxy-5-(4-methylimidazol-1-yl)-2-propan-2-ylpyridine;1-methylimidazole;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine;4-methyl-1-(2-methyl-4-propan-2-ylphenyl)imidazole;(3-propan-2-ylphenyl)methanol is CC.CC(C)c1cccc(CO)c1.CC(C)c1ccccc1.CCO.COc1cc(C(C)C)cnc1-n1cnc(C)c1.COc1cc(C(C)C)ncc1-n1cnc(C)c1.COc1nc(C(C)C)ccc1-n1cnc(C)c1.COc1nc(C(C)C)cnc1-n1cnc(C)c1.Cc1cn(-c2ccc(C(C)C)cc2C)cn1.Cc1cn(-c2ccc(C(C)C)cc2F)cn1.Cc1cn(-c2ccc(C(C)C)cn2)cn1.Cc1cn(C)cn1.Cn1ccnc1.
What is the InChIKey of cumene;1,4-dimethylimidazole;ethane;ethanol;1-(2-fluoro-4-propan-2-ylphenyl)-4-methylimidazole;3-methoxy-2-(4-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-methoxy-3-(4-methylimidazol-1-yl)-6-propan-2-ylpyridine;3-methoxy-2-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine;4-methoxy-5-(4-methylimidazol-1-yl)-2-propan-2-ylpyridine;1-methylimidazole;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine;4-methyl-1-(2-methyl-4-propan-2-ylphenyl)imidazole;(3-propan-2-ylphenyl)methanol?
The InChIKey is ODNZERBIQXCXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2.C13H15FN2.3C13H17N3O.C12H16N4O.C12H15N3.C10H14O.C9H12.C5H8N2.C4H6N2.C2H6O.C2H6/c1-10(2)13-5-6-14(11(3)7-13)16-8-12(4)15-9-16;1-9(2)11-4-5-13(12(14)6-11)16-7-10(3)15-8-16;1-9(2)11-5-13(17-4)12(6-14-11)16-7-10(3)15-8-16;1-9(2)11-5-12(17-4)13(14-6-11)16-7-10(3)15-8-16;1-9(2)11-5-6-12(13(15-11)17-4)16-7-10(3)14-8-16;1-8(2)10-5-13-11(12(15-10)17-4)16-6-9(3)14-7-16;1-9(2)11-4-5-12(13-6-11)15-7-10(3)14-8-15;1-8(2)10-5-3-4-9(6-10)7-11;1-8(2)9-6-4-3-5-7-9;1-5-3-7(2)4-6-5;1-6-3-2-5-4-6;1-2-3;1-2/h5-10H,1-4H3;4-9H,1-3H3;3*5-9H,1-4H3;5-8H,1-4H3;4-9H,1-3H3;3-6,8,11H,7H2,1-2H3;3-8H,1-2H3;3-4H,1-2H3;2-4H,1H3;3H,2H2,1H3;1-2H3.
What are the key properties of cumene;1,4-dimethylimidazole;ethane;ethanol;1-(2-fluoro-4-propan-2-ylphenyl)-4-methylimidazole;3-methoxy-2-(4-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-methoxy-3-(4-methylimidazol-1-yl)-6-propan-2-ylpyridine;3-methoxy-2-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine;4-methoxy-5-(4-methylimidazol-1-yl)-2-propan-2-ylpyridine;1-methylimidazole;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine;4-methyl-1-(2-methyl-4-propan-2-ylphenyl)imidazole;(3-propan-2-ylphenyl)methanol?
cumene;1,4-dimethylimidazole;ethane;ethanol;1-(2-fluoro-4-propan-2-ylphenyl)-4-methylimidazole;3-methoxy-2-(4-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-methoxy-3-(4-methylimidazol-1-yl)-6-propan-2-ylpyridine;3-methoxy-2-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine;4-methoxy-5-(4-methylimidazol-1-yl)-2-propan-2-ylpyridine;1-methylimidazole;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine;4-methyl-1-(2-methyl-4-propan-2-ylphenyl)imidazole;(3-propan-2-ylphenyl)methanol has a molecular weight of 2084.84 g/mol, XLogP of 27.27, 21 rotatable bonds, 2 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;1,4-dimethylimidazole;ethane;ethanol;1-(2-fluoro-4-propan-2-ylphenyl)-4-methylimidazole;3-methoxy-2-(4-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-methoxy-3-(4-methylimidazol-1-yl)-6-propan-2-ylpyridine;3-methoxy-2-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine;4-methoxy-5-(4-methylimidazol-1-yl)-2-propan-2-ylpyridine;1-methylimidazole;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine;4-methyl-1-(2-methyl-4-propan-2-ylphenyl)imidazole;(3-propan-2-ylphenyl)methanol is sourced from PubChem (CID 159962840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).