5-chloro-1-(2-methoxy-4-propan-2-ylphenyl)-4-methylimidazole;1-(2-fluoro-4-propan-2-ylphenyl)-4-methylimidazole;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylimidazole;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine;4-methyl-1-[4-propan-2-yl-2-(trifluoromethoxy)phenyl]imidazole

C67H80ClF4N11O3 — CID 158235671

IUPAC5-chloro-1-(2-methoxy-4-propan-2-ylphenyl)-4-methylimidazole;1-(2-fluoro-4-propan-2-ylphenyl)-4-methylimidazole;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylimidazole;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine;4-methyl-1-[4-propan-2-yl-2-(trifluoromethoxy)phenyl]imidazole
SMILESCOc1cc(C(C)C)ccc1-n1cnc(C)c1.COc1cc(C(C)C)ccc1-n1cnc(C)c1Cl.Cc1cn(-c2ccc(C(C)C)cc2F)cn1.Cc1cn(-c2ccc(C(C)C)cc2OC(F)(F)F)cn1.Cc1cn(-c2ccc(C(C)C)cn2)cn1
InChIInChI=1S/C14H17ClN2O.C14H15F3N2O.C14H18N2O.C13H15FN2.C12H15N3/c1-9(2)11-5-6-12(13(7-11)18-4)17-8-16-10(3)14(17)15;1-9(2)11-4-5-12(19-7-10(3)18-8-19)13(6-11)20-14(15,16)17;1-10(2)12-5-6-13(14(7-12)17-4)16-8-11(3)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/h5-9H,1-4H3;4-9H,1-3H3;5-10H,1-4H3;4-9H,1-3H3;4-9H,1-3H3
InChIKeyGEXUPJUHGYRBTK-UHFFFAOYSA-N
MW1198.90 g/mol
LogP17.62
Rot. Bonds13

About 5-chloro-1-(2-methoxy-4-propan-2-ylphenyl)-4-methylimidazole;1-(2-fluoro-4-propan-2-ylphenyl)-4-methylimidazole;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylimidazole;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine;4-methyl-1-[4-propan-2-yl-2-(trifluoromethoxy)phenyl]imidazole

5-chloro-1-(2-methoxy-4-propan-2-ylphenyl)-4-methylimidazole;1-(2-fluoro-4-propan-2-ylphenyl)-4-methylimidazole;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylimidazole;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine;4-methyl-1-[4-propan-2-yl-2-(trifluoromethoxy)phenyl]imidazole (PubChem CID 158235671) has the molecular formula C67H80ClF4N11O3 and a molecular weight of 1198.90 g/mol. Its IUPAC name is 5-chloro-1-(2-methoxy-4-propan-2-ylphenyl)-4-methylimidazole;1-(2-fluoro-4-propan-2-ylphenyl)-4-methylimidazole;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylimidazole;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine;4-methyl-1-[4-propan-2-yl-2-(trifluoromethoxy)phenyl]imidazole.

Molecular Properties

Compound Name5-chloro-1-(2-methoxy-4-propan-2-ylphenyl)-4-methylimidazole;1-(2-fluoro-4-propan-2-ylphenyl)-4-methylimidazole;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylimidazole;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine;4-methyl-1-[4-propan-2-yl-2-(trifluoromethoxy)phenyl]imidazole
PubChem CID158235671
Molecular FormulaC67H80ClF4N11O3
Molecular Weight1198.90 g/mol
Exact Mass1197.61
IUPAC Name5-chloro-1-(2-methoxy-4-propan-2-ylphenyl)-4-methylimidazole;1-(2-fluoro-4-propan-2-ylphenyl)-4-methylimidazole;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylimidazole;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine;4-methyl-1-[4-propan-2-yl-2-(trifluoromethoxy)phenyl]imidazole
SMILESCOc1cc(C(C)C)ccc1-n1cnc(C)c1.COc1cc(C(C)C)ccc1-n1cnc(C)c1Cl.Cc1cn(-c2ccc(C(C)C)cc2F)cn1.Cc1cn(-c2ccc(C(C)C)cc2OC(F)(F)F)cn1.Cc1cn(-c2ccc(C(C)C)cn2)cn1
InChIInChI=1S/C14H17ClN2O.C14H15F3N2O.C14H18N2O.C13H15FN2.C12H15N3/c1-9(2)11-5-6-12(13(7-11)18-4)17-8-16-10(3)14(17)15;1-9(2)11-4-5-12(19-7-10(3)18-8-19)13(6-11)20-14(15,16)17;1-10(2)12-5-6-13(14(7-12)17-4)16-8-11(3)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/h5-9H,1-4H3;4-9H,1-3H3;5-10H,1-4H3;4-9H,1-3H3;4-9H,1-3H3
InChIKeyGEXUPJUHGYRBTK-UHFFFAOYSA-N
XLogP17.62
TPSA129.68 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds13
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001198.90
LogP ≤ 517.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

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Related Compounds

1-[(4-Fluorophenyl)methyl]-4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolo[2,3-b]pyridine
CID 42635823
2,6-Bis[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-4-(trifluoromethyl)pyridine
CID 157222994
(8S)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-[4-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8R)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-[4-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 157366623
2-[3-Methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,4-dimethyl-5-[3-(trifluoromethyl)phenyl]imidazole;2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,5-dimethyl-4-[3-(trifluoromethyl)phenyl]imidazole
CID 157917140
(7R)-N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-4-(3,3-difluoropyrrolidin-1-yl)-7-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;(7S)-N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-4-(3,3-difluoropyrrolidin-1-yl)-7-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine
CID 158678789
(4S,9E)-4-[(2S)-butan-2-yl]-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;bis((9E)-4-(1,1-difluoroethyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine);(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-[(2-methylidenepiperidin-1-yl)methyl]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-[(2-methylidenepyrrolidin-1-yl)methyl]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(2-methylpropyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine
CID 158738745
(7R)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-7-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole;(7S)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-7-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole
CID 159237870
(8R)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8S)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 159586904
2,4-Dimethyl-1-(4-propan-2-ylphenyl)imidazole;4,5-dimethyl-1-(4-propan-2-ylphenyl)imidazole;1-(2-fluoro-4-propan-2-ylphenyl)-4-methylimidazole;1-(2-methoxy-4-propan-2-ylphenyl)imidazole;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylimidazole;1-(4-propan-2-ylphenyl)-4-(trifluoromethyl)imidazole
CID 159914966
5-chloro-7-[1-(3,5-difluoro-4-methylphenyl)butyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;5-chloro-7-[(1R)-1-(2,5-difluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;5-(1,1-difluoroethyl)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;7-[(1S)-1-(3,5-difluoro-4-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;7-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine
CID 160194623
(8R)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8S)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 160952882
N-[4-fluoro-2-(trifluoromethyl)phenyl]-5-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-methyl-1,2,4-triazol-3-amine;N-[4-fluoro-2-(trifluoromethyl)phenyl]-5-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-methyl-1,2,4-triazol-3-amine
CID 161076850

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(2-methoxy-4-propan-2-ylphenyl)-4-methylimidazole;1-(2-fluoro-4-propan-2-ylphenyl)-4-methylimidazole;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylimidazole;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine;4-methyl-1-[4-propan-2-yl-2-(trifluoromethoxy)phenyl]imidazole?
The IUPAC name of 5-chloro-1-(2-methoxy-4-propan-2-ylphenyl)-4-methylimidazole;1-(2-fluoro-4-propan-2-ylphenyl)-4-methylimidazole;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylimidazole;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine;4-methyl-1-[4-propan-2-yl-2-(trifluoromethoxy)phenyl]imidazole (CID 158235671) is 5-chloro-1-(2-methoxy-4-propan-2-ylphenyl)-4-methylimidazole;1-(2-fluoro-4-propan-2-ylphenyl)-4-methylimidazole;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylimidazole;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine;4-methyl-1-[4-propan-2-yl-2-(trifluoromethoxy)phenyl]imidazole.
What is the SMILES notation for 5-chloro-1-(2-methoxy-4-propan-2-ylphenyl)-4-methylimidazole;1-(2-fluoro-4-propan-2-ylphenyl)-4-methylimidazole;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylimidazole;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine;4-methyl-1-[4-propan-2-yl-2-(trifluoromethoxy)phenyl]imidazole?
The canonical SMILES for 5-chloro-1-(2-methoxy-4-propan-2-ylphenyl)-4-methylimidazole;1-(2-fluoro-4-propan-2-ylphenyl)-4-methylimidazole;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylimidazole;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine;4-methyl-1-[4-propan-2-yl-2-(trifluoromethoxy)phenyl]imidazole is COc1cc(C(C)C)ccc1-n1cnc(C)c1.COc1cc(C(C)C)ccc1-n1cnc(C)c1Cl.Cc1cn(-c2ccc(C(C)C)cc2F)cn1.Cc1cn(-c2ccc(C(C)C)cc2OC(F)(F)F)cn1.Cc1cn(-c2ccc(C(C)C)cn2)cn1.
What is the InChIKey of 5-chloro-1-(2-methoxy-4-propan-2-ylphenyl)-4-methylimidazole;1-(2-fluoro-4-propan-2-ylphenyl)-4-methylimidazole;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylimidazole;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine;4-methyl-1-[4-propan-2-yl-2-(trifluoromethoxy)phenyl]imidazole?
The InChIKey is GEXUPJUHGYRBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O.C14H15F3N2O.C14H18N2O.C13H15FN2.C12H15N3/c1-9(2)11-5-6-12(13(7-11)18-4)17-8-16-10(3)14(17)15;1-9(2)11-4-5-12(19-7-10(3)18-8-19)13(6-11)20-14(15,16)17;1-10(2)12-5-6-13(14(7-12)17-4)16-8-11(3)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/h5-9H,1-4H3;4-9H,1-3H3;5-10H,1-4H3;4-9H,1-3H3;4-9H,1-3H3.
What are the key properties of 5-chloro-1-(2-methoxy-4-propan-2-ylphenyl)-4-methylimidazole;1-(2-fluoro-4-propan-2-ylphenyl)-4-methylimidazole;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylimidazole;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine;4-methyl-1-[4-propan-2-yl-2-(trifluoromethoxy)phenyl]imidazole?
5-chloro-1-(2-methoxy-4-propan-2-ylphenyl)-4-methylimidazole;1-(2-fluoro-4-propan-2-ylphenyl)-4-methylimidazole;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylimidazole;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine;4-methyl-1-[4-propan-2-yl-2-(trifluoromethoxy)phenyl]imidazole has a molecular weight of 1198.90 g/mol, XLogP of 17.62, 13 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(2-methoxy-4-propan-2-ylphenyl)-4-methylimidazole;1-(2-fluoro-4-propan-2-ylphenyl)-4-methylimidazole;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylimidazole;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine;4-methyl-1-[4-propan-2-yl-2-(trifluoromethoxy)phenyl]imidazole is sourced from PubChem (CID 158235671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).