1-(2-fluoro-4-propan-2-ylphenyl)-4-methylimidazole;methane;[2-(4-methylimidazol-1-yl)-5-propan-2-ylphenyl]methanol;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine;4-methyl-1-(2-methyl-4-propan-2-ylphenyl)imidazole

C58H86FN9O — CID 161202949

IUPAC1-(2-fluoro-4-propan-2-ylphenyl)-4-methylimidazole;methane;[2-(4-methylimidazol-1-yl)-5-propan-2-ylphenyl]methanol;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine;4-methyl-1-(2-methyl-4-propan-2-ylphenyl)imidazole
SMILESC.C.C.C.C.Cc1cn(-c2ccc(C(C)C)cc2C)cn1.Cc1cn(-c2ccc(C(C)C)cc2CO)cn1.Cc1cn(-c2ccc(C(C)C)cc2F)cn1.Cc1cn(-c2ccc(C(C)C)cn2)cn1
InChIInChI=1S/C14H18N2O.C14H18N2.C13H15FN2.C12H15N3.5CH4/c1-10(2)12-4-5-14(13(6-12)8-17)16-7-11(3)15-9-16;1-10(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)11-4-5-12(13-6-11)15-7-10(3)14-8-15;;;;;/h4-7,9-10,17H,8H2,1-3H3;5-10H,1-4H3;4-9H,1-3H3;4-9H,1-3H3;5*1H4
InChIKeyUVFMOLOXULDKRG-UHFFFAOYSA-N
MW944.39 g/mol
LogP15.73
Rot. Bonds9

About 1-(2-fluoro-4-propan-2-ylphenyl)-4-methylimidazole;methane;[2-(4-methylimidazol-1-yl)-5-propan-2-ylphenyl]methanol;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine;4-methyl-1-(2-methyl-4-propan-2-ylphenyl)imidazole

1-(2-fluoro-4-propan-2-ylphenyl)-4-methylimidazole;methane;[2-(4-methylimidazol-1-yl)-5-propan-2-ylphenyl]methanol;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine;4-methyl-1-(2-methyl-4-propan-2-ylphenyl)imidazole (PubChem CID 161202949) has the molecular formula C58H86FN9O and a molecular weight of 944.39 g/mol. Its IUPAC name is 1-(2-fluoro-4-propan-2-ylphenyl)-4-methylimidazole;methane;[2-(4-methylimidazol-1-yl)-5-propan-2-ylphenyl]methanol;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine;4-methyl-1-(2-methyl-4-propan-2-ylphenyl)imidazole.

Molecular Properties

Compound Name1-(2-fluoro-4-propan-2-ylphenyl)-4-methylimidazole;methane;[2-(4-methylimidazol-1-yl)-5-propan-2-ylphenyl]methanol;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine;4-methyl-1-(2-methyl-4-propan-2-ylphenyl)imidazole
PubChem CID161202949
Molecular FormulaC58H86FN9O
Molecular Weight944.39 g/mol
Exact Mass943.69
IUPAC Name1-(2-fluoro-4-propan-2-ylphenyl)-4-methylimidazole;methane;[2-(4-methylimidazol-1-yl)-5-propan-2-ylphenyl]methanol;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine;4-methyl-1-(2-methyl-4-propan-2-ylphenyl)imidazole
SMILESC.C.C.C.C.Cc1cn(-c2ccc(C(C)C)cc2C)cn1.Cc1cn(-c2ccc(C(C)C)cc2CO)cn1.Cc1cn(-c2ccc(C(C)C)cc2F)cn1.Cc1cn(-c2ccc(C(C)C)cn2)cn1
InChIInChI=1S/C14H18N2O.C14H18N2.C13H15FN2.C12H15N3.5CH4/c1-10(2)12-4-5-14(13(6-12)8-17)16-7-11(3)15-9-16;1-10(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)11-4-5-12(13-6-11)15-7-10(3)14-8-15;;;;;/h4-7,9-10,17H,8H2,1-3H3;5-10H,1-4H3;4-9H,1-3H3;4-9H,1-3H3;5*1H4
InChIKeyUVFMOLOXULDKRG-UHFFFAOYSA-N
XLogP15.73
TPSA104.40 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500944.39
LogP ≤ 515.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 1-(2-fluoro-4-propan-2-ylphenyl)-4-methylimidazole;methane;[2-(4-methylimidazol-1-yl)-5-propan-2-ylphenyl]methanol;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine;4-methyl-1-(2-methyl-4-propan-2-ylphenyl)imidazole with MolForge

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Related Compounds

(2-imidazol-1-yl-5-propan-2-ylphenyl)methanol;[2-(4-methylimidazol-1-yl)-5-propan-2-ylphenyl]methanol
CID 160972959
[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]methanol
CID 91758264
[2-(4-methylimidazol-1-yl)-5-(2-methylpropyl)phenyl]methanol
CID 58217761
[2-(5-chloro-4-methylimidazol-1-yl)-5-propan-2-ylphenyl]methanol;3-methoxy-2-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine
CID 158423453
4-methyl-1-[4-propan-2-yl-2-(trifluoromethoxy)phenyl]imidazole
CID 59502215
6-[2-hydroxy-1-(3,4,5-trifluorophenyl)ethyl]-2-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-6-azaspiro[3.5]nonan-5-one
CID 58122323
methyl 1-[1-(4-fluorophenyl)ethyl]-5-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]-6-oxopyridine-3-carboxylate
CID 58217862
2-[1-(4-fluorophenyl)ethyl]-4-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridazin-3-one
CID 58218038
(2E,4S)-5-chloro-2-[[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methylpentanoyl chloride
CID 142757570
1-(4-chloro-2-ethylphenyl)-4-methylimidazole
CID 146396670
5-chloro-4-methyl-1-[4-propan-2-yl-2-(trifluoromethoxy)phenyl]imidazole;3-ethyl-1-(2-methoxy-4-propan-2-ylphenyl)-1,2,4-triazole;1-(2-fluoro-4-propan-2-ylphenyl)-4-methylimidazole;1-(2-methoxy-4-propan-2-ylphenyl)imidazole;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine;4-methyl-1-[4-propan-2-yl-2-(trifluoromethoxy)phenyl]imidazole;7-(3-methyl-1,2,4-triazol-1-yl)-4-propan-2-yl-1,3-benzoxazole
CID 159948626
1-[1-(3,4-difluorophenyl)ethyl]-3-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]piperidin-2-one
CID 58122446

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-propan-2-ylphenyl)-4-methylimidazole;methane;[2-(4-methylimidazol-1-yl)-5-propan-2-ylphenyl]methanol;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine;4-methyl-1-(2-methyl-4-propan-2-ylphenyl)imidazole?
The IUPAC name of 1-(2-fluoro-4-propan-2-ylphenyl)-4-methylimidazole;methane;[2-(4-methylimidazol-1-yl)-5-propan-2-ylphenyl]methanol;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine;4-methyl-1-(2-methyl-4-propan-2-ylphenyl)imidazole (CID 161202949) is 1-(2-fluoro-4-propan-2-ylphenyl)-4-methylimidazole;methane;[2-(4-methylimidazol-1-yl)-5-propan-2-ylphenyl]methanol;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine;4-methyl-1-(2-methyl-4-propan-2-ylphenyl)imidazole.
What is the SMILES notation for 1-(2-fluoro-4-propan-2-ylphenyl)-4-methylimidazole;methane;[2-(4-methylimidazol-1-yl)-5-propan-2-ylphenyl]methanol;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine;4-methyl-1-(2-methyl-4-propan-2-ylphenyl)imidazole?
The canonical SMILES for 1-(2-fluoro-4-propan-2-ylphenyl)-4-methylimidazole;methane;[2-(4-methylimidazol-1-yl)-5-propan-2-ylphenyl]methanol;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine;4-methyl-1-(2-methyl-4-propan-2-ylphenyl)imidazole is C.C.C.C.C.Cc1cn(-c2ccc(C(C)C)cc2C)cn1.Cc1cn(-c2ccc(C(C)C)cc2CO)cn1.Cc1cn(-c2ccc(C(C)C)cc2F)cn1.Cc1cn(-c2ccc(C(C)C)cn2)cn1.
What is the InChIKey of 1-(2-fluoro-4-propan-2-ylphenyl)-4-methylimidazole;methane;[2-(4-methylimidazol-1-yl)-5-propan-2-ylphenyl]methanol;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine;4-methyl-1-(2-methyl-4-propan-2-ylphenyl)imidazole?
The InChIKey is UVFMOLOXULDKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O.C14H18N2.C13H15FN2.C12H15N3.5CH4/c1-10(2)12-4-5-14(13(6-12)8-17)16-7-11(3)15-9-16;1-10(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)11-4-5-12(13-6-11)15-7-10(3)14-8-15;;;;;/h4-7,9-10,17H,8H2,1-3H3;5-10H,1-4H3;4-9H,1-3H3;4-9H,1-3H3;5*1H4.
What are the key properties of 1-(2-fluoro-4-propan-2-ylphenyl)-4-methylimidazole;methane;[2-(4-methylimidazol-1-yl)-5-propan-2-ylphenyl]methanol;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine;4-methyl-1-(2-methyl-4-propan-2-ylphenyl)imidazole?
1-(2-fluoro-4-propan-2-ylphenyl)-4-methylimidazole;methane;[2-(4-methylimidazol-1-yl)-5-propan-2-ylphenyl]methanol;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine;4-methyl-1-(2-methyl-4-propan-2-ylphenyl)imidazole has a molecular weight of 944.39 g/mol, XLogP of 15.73, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-propan-2-ylphenyl)-4-methylimidazole;methane;[2-(4-methylimidazol-1-yl)-5-propan-2-ylphenyl]methanol;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine;4-methyl-1-(2-methyl-4-propan-2-ylphenyl)imidazole is sourced from PubChem (CID 161202949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).