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

C93H108ClF7N18O5 — CID 159948626

IUPAC5-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
SMILESCCc1ncn(-c2ccc(C(C)C)cc2OC)n1.COc1cc(C(C)C)ccc1-n1ccnc1.Cc1cn(-c2ccc(C(C)C)cc2F)cn1.Cc1cn(-c2ccc(C(C)C)cc2OC(F)(F)F)cn1.Cc1cn(-c2ccc(C(C)C)cn2)cn1.Cc1ncn(-c2ccc(C(C)C)c3ncoc23)n1.Cc1ncn(-c2ccc(C(C)C)cc2OC(F)(F)F)c1Cl
InChIInChI=1S/C14H14ClF3N2O.C14H15F3N2O.C14H19N3O.C13H15FN2.C13H14N4O.C13H16N2O.C12H15N3/c1-8(2)10-4-5-11(12(6-10)21-14(16,17)18)20-7-19-9(3)13(20)15;1-9(2)11-4-5-12(19-7-10(3)18-8-19)13(6-11)20-14(15,16)17;1-5-14-15-9-17(16-14)12-7-6-11(10(2)3)8-13(12)18-4;1-9(2)11-4-5-13(12(14)6-11)16-7-10(3)15-8-16;1-8(2)10-4-5-11(13-12(10)15-7-18-13)17-6-14-9(3)16-17;1-10(2)11-4-5-12(13(8-11)16-3)15-7-6-14-9-15;1-9(2)11-4-5-12(13-6-11)15-7-10(3)14-8-15/h4-8H,1-3H3;4-9H,1-3H3;6-10H,5H2,1-4H3;4-9H,1-3H3;4-8H,1-3H3;4-10H,1-3H3;4-9H,1-3H3
InChIKeyOBUVZLYYNFSAMD-UHFFFAOYSA-N
MW1726.45 g/mol
LogP24.01
Rot. Bonds19

About 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

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 (PubChem CID 159948626) has the molecular formula C93H108ClF7N18O5 and a molecular weight of 1726.45 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID159948626
Molecular FormulaC93H108ClF7N18O5
Molecular Weight1726.45 g/mol
Exact Mass1724.83
IUPAC Name5-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
SMILESCCc1ncn(-c2ccc(C(C)C)cc2OC)n1.COc1cc(C(C)C)ccc1-n1ccnc1.Cc1cn(-c2ccc(C(C)C)cc2F)cn1.Cc1cn(-c2ccc(C(C)C)cc2OC(F)(F)F)cn1.Cc1cn(-c2ccc(C(C)C)cn2)cn1.Cc1ncn(-c2ccc(C(C)C)c3ncoc23)n1.Cc1ncn(-c2ccc(C(C)C)cc2OC(F)(F)F)c1Cl
InChIInChI=1S/C14H14ClF3N2O.C14H15F3N2O.C14H19N3O.C13H15FN2.C13H14N4O.C13H16N2O.C12H15N3/c1-8(2)10-4-5-11(12(6-10)21-14(16,17)18)20-7-19-9(3)13(20)15;1-9(2)11-4-5-12(19-7-10(3)18-8-19)13(6-11)20-14(15,16)17;1-5-14-15-9-17(16-14)12-7-6-11(10(2)3)8-13(12)18-4;1-9(2)11-4-5-13(12(14)6-11)16-7-10(3)15-8-16;1-8(2)10-4-5-11(13-12(10)15-7-18-13)17-6-14-9(3)16-17;1-10(2)11-4-5-12(13(8-11)16-3)15-7-6-14-9-15;1-9(2)11-4-5-12(13-6-11)15-7-10(3)14-8-15/h4-8H,1-3H3;4-9H,1-3H3;6-10H,5H2,1-4H3;4-9H,1-3H3;4-8H,1-3H3;4-10H,1-3H3;4-9H,1-3H3
InChIKeyOBUVZLYYNFSAMD-UHFFFAOYSA-N
XLogP24.01
TPSA226.36 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds19
Heavy Atoms124
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001726.45
LogP ≤ 524.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Analyze 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 with MolForge

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Related Compounds

4-methyl-1-[4-propan-2-yl-2-(trifluoromethoxy)phenyl]imidazole
CID 59502215
[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
1-(2-methoxy-4-propan-2-ylphenyl)imidazole
CID 59583786
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
(2-imidazol-1-yl-5-propan-2-ylphenyl)methanol;[2-(4-methylimidazol-1-yl)-5-propan-2-ylphenyl]methanol
CID 160972959
1-[2-fluoro-4-(1-methoxyethyl)phenyl]imidazole
CID 155472277
4-methoxy-1-(2-methoxy-4-propan-2-ylphenyl)imidazole
CID 67889602
5-[5-chloro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]pentyl]-N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-1H-1,2,4-triazol-3-amine
CID 66858723
5-chloro-3-[hydroxy-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-1-[(1S)-1-(3,4,5-trifluorophenyl)ethyl]pyridin-2-one
CID 58110805
[fluoro-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]phosphonic acid
CID 67549531
1-[5-chloro-2-(trifluoromethoxy)phenyl]-3-methyl-1,2,4-triazole
CID 166607522
5-chloro-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[hydroxy-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridin-2-one
CID 70271783

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1ncn(-c2ccc(C(C)C)cc2OC)n1.COc1cc(C(C)C)ccc1-n1ccnc1.Cc1cn(-c2ccc(C(C)C)cc2F)cn1.Cc1cn(-c2ccc(C(C)C)cc2OC(F)(F)F)cn1.Cc1cn(-c2ccc(C(C)C)cn2)cn1.Cc1ncn(-c2ccc(C(C)C)c3ncoc23)n1.Cc1ncn(-c2ccc(C(C)C)cc2OC(F)(F)F)c1Cl.
What is the InChIKey of 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?
The InChIKey is OBUVZLYYNFSAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF3N2O.C14H15F3N2O.C14H19N3O.C13H15FN2.C13H14N4O.C13H16N2O.C12H15N3/c1-8(2)10-4-5-11(12(6-10)21-14(16,17)18)20-7-19-9(3)13(20)15;1-9(2)11-4-5-12(19-7-10(3)18-8-19)13(6-11)20-14(15,16)17;1-5-14-15-9-17(16-14)12-7-6-11(10(2)3)8-13(12)18-4;1-9(2)11-4-5-13(12(14)6-11)16-7-10(3)15-8-16;1-8(2)10-4-5-11(13-12(10)15-7-18-13)17-6-14-9(3)16-17;1-10(2)11-4-5-12(13(8-11)16-3)15-7-6-14-9-15;1-9(2)11-4-5-12(13-6-11)15-7-10(3)14-8-15/h4-8H,1-3H3;4-9H,1-3H3;6-10H,5H2,1-4H3;4-9H,1-3H3;4-8H,1-3H3;4-10H,1-3H3;4-9H,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 1726.45 g/mol, XLogP of 24.01, 19 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159948626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).