4-(3-tert-butyl-5-chloro-4-fluorophenyl)-2-chloro-1-methylimidazole;4-(3-tert-butyl-5-chloro-4-fluorophenyl)-2,5-dichloro-1-methylimidazole;1-(3-tert-butyl-5-chloro-4-fluorophenyl)imidazole;4-(3-tert-butyl-5-chloro-4-fluorophenyl)-2-(2-methoxyethyl)-1-methylimidazole;5-(3-tert-butyl-5-chloro-4-fluorophenyl)-2-methyl-1H-imidazole;2-(3-tert-butyl-5-chloro-4-fluorophenyl)pyridine;4-(3-tert-butyl-4,5-dimethylphenyl)-2-chloro-1-methylimidazole

C103H117Cl10F6N13O — CID 165055490

IUPAC4-(3-tert-butyl-5-chloro-4-fluorophenyl)-2-chloro-1-methylimidazole;4-(3-tert-butyl-5-chloro-4-fluorophenyl)-2,5-dichloro-1-methylimidazole;1-(3-tert-butyl-5-chloro-4-fluorophenyl)imidazole;4-(3-tert-butyl-5-chloro-4-fluorophenyl)-2-(2-methoxyethyl)-1-methylimidazole;5-(3-tert-butyl-5-chloro-4-fluorophenyl)-2-methyl-1H-imidazole;2-(3-tert-butyl-5-chloro-4-fluorophenyl)pyridine;4-(3-tert-butyl-4,5-dimethylphenyl)-2-chloro-1-methylimidazole
SMILESCC(C)(C)c1cc(-c2ccccn2)cc(Cl)c1F.CC(C)(C)c1cc(-n2ccnc2)cc(Cl)c1F.COCCc1nc(-c2cc(Cl)c(F)c(C(C)(C)C)c2)cn1C.Cc1cc(-c2cn(C)c(Cl)n2)cc(C(C)(C)C)c1C.Cc1ncc(-c2cc(Cl)c(F)c(C(C)(C)C)c2)[nH]1.Cn1c(Cl)nc(-c2cc(Cl)c(F)c(C(C)(C)C)c2)c1Cl.Cn1cc(-c2cc(Cl)c(F)c(C(C)(C)C)c2)nc1Cl
InChIInChI=1S/C17H22ClFN2O.C16H21ClN2.C15H15ClFN.C14H14Cl3FN2.C14H15Cl2FN2.C14H16ClFN2.C13H14ClFN2/c1-17(2,3)12-8-11(9-13(18)16(12)19)14-10-21(4)15(20-14)6-7-22-5;1-10-7-12(14-9-19(6)15(17)18-14)8-13(11(10)2)16(3,4)5;1-15(2,3)11-8-10(9-12(16)14(11)17)13-6-4-5-7-18-13;1-14(2,3)8-5-7(6-9(15)10(8)18)11-12(16)20(4)13(17)19-11;1-14(2,3)9-5-8(6-10(15)12(9)17)11-7-19(4)13(16)18-11;1-8-17-7-12(18-8)9-5-10(14(2,3)4)13(16)11(15)6-9;1-13(2,3)10-6-9(7-11(14)12(10)15)17-5-4-16-8-17/h8-10H,6-7H2,1-5H3;7-9H,1-6H3;4-9H,1-3H3;5-6H,1-4H3;5-7H,1-4H3;5-7H,1-4H3,(H,17,18);4-8H,1-3H3
InChIKeyQIPFORVWDFTWJA-UHFFFAOYSA-N
MW2021.68 g/mol
LogP32.61
Rot. Bonds10

About 4-(3-tert-butyl-5-chloro-4-fluorophenyl)-2-chloro-1-methylimidazole;4-(3-tert-butyl-5-chloro-4-fluorophenyl)-2,5-dichloro-1-methylimidazole;1-(3-tert-butyl-5-chloro-4-fluorophenyl)imidazole;4-(3-tert-butyl-5-chloro-4-fluorophenyl)-2-(2-methoxyethyl)-1-methylimidazole;5-(3-tert-butyl-5-chloro-4-fluorophenyl)-2-methyl-1H-imidazole;2-(3-tert-butyl-5-chloro-4-fluorophenyl)pyridine;4-(3-tert-butyl-4,5-dimethylphenyl)-2-chloro-1-methylimidazole

4-(3-tert-butyl-5-chloro-4-fluorophenyl)-2-chloro-1-methylimidazole;4-(3-tert-butyl-5-chloro-4-fluorophenyl)-2,5-dichloro-1-methylimidazole;1-(3-tert-butyl-5-chloro-4-fluorophenyl)imidazole;4-(3-tert-butyl-5-chloro-4-fluorophenyl)-2-(2-methoxyethyl)-1-methylimidazole;5-(3-tert-butyl-5-chloro-4-fluorophenyl)-2-methyl-1H-imidazole;2-(3-tert-butyl-5-chloro-4-fluorophenyl)pyridine;4-(3-tert-butyl-4,5-dimethylphenyl)-2-chloro-1-methylimidazole (PubChem CID 165055490) has the molecular formula C103H117Cl10F6N13O and a molecular weight of 2021.68 g/mol. Its IUPAC name is 4-(3-tert-butyl-5-chloro-4-fluorophenyl)-2-chloro-1-methylimidazole;4-(3-tert-butyl-5-chloro-4-fluorophenyl)-2,5-dichloro-1-methylimidazole;1-(3-tert-butyl-5-chloro-4-fluorophenyl)imidazole;4-(3-tert-butyl-5-chloro-4-fluorophenyl)-2-(2-methoxyethyl)-1-methylimidazole;5-(3-tert-butyl-5-chloro-4-fluorophenyl)-2-methyl-1H-imidazole;2-(3-tert-butyl-5-chloro-4-fluorophenyl)pyridine;4-(3-tert-butyl-4,5-dimethylphenyl)-2-chloro-1-methylimidazole.

Molecular Properties

Compound Name4-(3-tert-butyl-5-chloro-4-fluorophenyl)-2-chloro-1-methylimidazole;4-(3-tert-butyl-5-chloro-4-fluorophenyl)-2,5-dichloro-1-methylimidazole;1-(3-tert-butyl-5-chloro-4-fluorophenyl)imidazole;4-(3-tert-butyl-5-chloro-4-fluorophenyl)-2-(2-methoxyethyl)-1-methylimidazole;5-(3-tert-butyl-5-chloro-4-fluorophenyl)-2-methyl-1H-imidazole;2-(3-tert-butyl-5-chloro-4-fluorophenyl)pyridine;4-(3-tert-butyl-4,5-dimethylphenyl)-2-chloro-1-methylimidazole
PubChem CID165055490
Molecular FormulaC103H117Cl10F6N13O
Molecular Weight2021.68 g/mol
Exact Mass2015.63
IUPAC Name4-(3-tert-butyl-5-chloro-4-fluorophenyl)-2-chloro-1-methylimidazole;4-(3-tert-butyl-5-chloro-4-fluorophenyl)-2,5-dichloro-1-methylimidazole;1-(3-tert-butyl-5-chloro-4-fluorophenyl)imidazole;4-(3-tert-butyl-5-chloro-4-fluorophenyl)-2-(2-methoxyethyl)-1-methylimidazole;5-(3-tert-butyl-5-chloro-4-fluorophenyl)-2-methyl-1H-imidazole;2-(3-tert-butyl-5-chloro-4-fluorophenyl)pyridine;4-(3-tert-butyl-4,5-dimethylphenyl)-2-chloro-1-methylimidazole
SMILESCC(C)(C)c1cc(-c2ccccn2)cc(Cl)c1F.CC(C)(C)c1cc(-n2ccnc2)cc(Cl)c1F.COCCc1nc(-c2cc(Cl)c(F)c(C(C)(C)C)c2)cn1C.Cc1cc(-c2cn(C)c(Cl)n2)cc(C(C)(C)C)c1C.Cc1ncc(-c2cc(Cl)c(F)c(C(C)(C)C)c2)[nH]1.Cn1c(Cl)nc(-c2cc(Cl)c(F)c(C(C)(C)C)c2)c1Cl.Cn1cc(-c2cc(Cl)c(F)c(C(C)(C)C)c2)nc1Cl
InChIInChI=1S/C17H22ClFN2O.C16H21ClN2.C15H15ClFN.C14H14Cl3FN2.C14H15Cl2FN2.C14H16ClFN2.C13H14ClFN2/c1-17(2,3)12-8-11(9-13(18)16(12)19)14-10-21(4)15(20-14)6-7-22-5;1-10-7-12(14-9-19(6)15(17)18-14)8-13(11(10)2)16(3,4)5;1-15(2,3)11-8-10(9-12(16)14(11)17)13-6-4-5-7-18-13;1-14(2,3)8-5-7(6-9(15)10(8)18)11-12(16)20(4)13(17)19-11;1-14(2,3)9-5-8(6-10(15)12(9)17)11-7-19(4)13(16)18-11;1-8-17-7-12(18-8)9-5-10(14(2,3)4)13(16)11(15)6-9;1-13(2,3)10-6-9(7-11(14)12(10)15)17-5-4-16-8-17/h8-10H,6-7H2,1-5H3;7-9H,1-6H3;4-9H,1-3H3;5-6H,1-4H3;5-7H,1-4H3;5-7H,1-4H3,(H,17,18);4-8H,1-3H3
InChIKeyQIPFORVWDFTWJA-UHFFFAOYSA-N
XLogP32.61
TPSA139.90 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002021.68
LogP ≤ 532.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze 4-(3-tert-butyl-5-chloro-4-fluorophenyl)-2-chloro-1-methylimidazole;4-(3-tert-butyl-5-chloro-4-fluorophenyl)-2,5-dichloro-1-methylimidazole;1-(3-tert-butyl-5-chloro-4-fluorophenyl)imidazole;4-(3-tert-butyl-5-chloro-4-fluorophenyl)-2-(2-methoxyethyl)-1-methylimidazole;5-(3-tert-butyl-5-chloro-4-fluorophenyl)-2-methyl-1H-imidazole;2-(3-tert-butyl-5-chloro-4-fluorophenyl)pyridine;4-(3-tert-butyl-4,5-dimethylphenyl)-2-chloro-1-methylimidazole with MolForge

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Related Compounds

bis(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)-1H-imidazole;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-yl-1H-pyrrole;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-1H-imidazole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;bis(1-propan-2-yl-4-(trifluoromethyl)benzene)
CID 160687670
5-[(Z)-1-(3-chlorophenyl)-2-phenylethenyl]-1H-imidazole;5-[1-(2,3-dichlorophenyl)-2-phenylethyl]-1H-imidazole;5-[1-(2,3-difluorophenyl)-2-phenylethyl]-1H-imidazole;5-[1-(2,3-dimethylphenyl)-2-phenylethyl]-1H-imidazole;5-(1,2-diphenylethyl)-1H-imidazole;5-[1-(2-fluorophenyl)-2-phenylethyl]-1H-imidazole;4-[1-(1H-imidazol-5-yl)-2-phenylethyl]pyridine;5-[1-(2-methylphenyl)-2-phenylethyl]-1H-imidazole
CID 158990998
4-(3-Tert-butyl-5-chloro-4-fluorophenyl)-1,2-dimethylimidazole;4-(3-tert-butyl-5-chloro-4-fluorophenyl)-1,5-dimethylimidazole;5-(3-tert-butyl-5-chloro-4-fluorophenyl)-1,2-dimethylimidazole;5-(3-tert-butyl-5-chloro-4-fluorophenyl)-1,4-dimethylimidazole;4-(3-tert-butyl-5-chloro-4-fluorophenyl)-1-ethyl-2-methylimidazole;4-(3-tert-butyl-5-chloro-4-fluorophenyl)-1-ethyl-5-methylimidazole;5-(3-tert-butyl-5-chloro-4-fluorophenyl)-1-ethyl-2-methylimidazole;5-(3-tert-butyl-5-chloro-4-fluorophenyl)-1-ethyl-4-methylimidazole;2-[4-(3-tert-butyl-4-fluoro-5-methylphenyl)imidazol-1-yl]ethanol
CID 164962293
4-(3-tert-butyl-5-chloro-4-fluorophenyl)-3,5-dimethyl-1H-pyrazole;1-(3-tert-butyl-5-chloro-4-fluorophenyl)triazole;4-(3-tert-butyl-5-chloro-4-fluorophenyl)-1,3,5-trimethylpyrazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-ethylpyrazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-(2-methoxyethyl)pyrazole;5-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-methylimidazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-methylpyrazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-propan-2-ylpyrazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-propylpyrazole
CID 165006572
4-(3-Tert-butyl-5-chloro-4-fluorophenyl)-1-ethylimidazole;2-[4-(3-tert-butyl-5-chloro-4-fluorophenyl)imidazol-1-yl]ethanol;4-(3-tert-butyl-5-chloro-4-fluorophenyl)-1-(2-methoxyethyl)imidazole;1-(3-tert-butyl-5-chloro-4-fluorophenyl)-3-methyl-1,2,4-triazole;1-(3-tert-butyl-5-chloro-4-fluorophenyl)-4-methyltriazole;1-(3-tert-butyl-5-chloro-4-fluorophenyl)-5-methyl-1,2,4-triazole;4-(3-tert-butyl-5-chloro-4-fluorophenyl)-1-methyltriazole;4-(3-tert-butyl-5-chloro-4-fluorophenyl)-1-propan-2-ylimidazole;4-(3-tert-butyl-5-chloro-4-fluorophenyl)-1-propylimidazole
CID 165010918
5-(3-tert-butyl-5-chloro-4-fluorophenyl)-1H-imidazole;4-(3-tert-butyl-5-chloro-4-fluorophenyl)-1-methylimidazole;4-(3-tert-butyl-4,5-dichlorophenyl)-1-methylimidazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-ethylimidazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-(2-methoxyethyl)imidazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-methylimidazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-propan-2-ylimidazole;4-(3,4-difluoro-5-propan-2-ylphenyl)-1-methylimidazole
CID 165015969

Frequently Asked Questions

What is the IUPAC name of 4-(3-tert-butyl-5-chloro-4-fluorophenyl)-2-chloro-1-methylimidazole;4-(3-tert-butyl-5-chloro-4-fluorophenyl)-2,5-dichloro-1-methylimidazole;1-(3-tert-butyl-5-chloro-4-fluorophenyl)imidazole;4-(3-tert-butyl-5-chloro-4-fluorophenyl)-2-(2-methoxyethyl)-1-methylimidazole;5-(3-tert-butyl-5-chloro-4-fluorophenyl)-2-methyl-1H-imidazole;2-(3-tert-butyl-5-chloro-4-fluorophenyl)pyridine;4-(3-tert-butyl-4,5-dimethylphenyl)-2-chloro-1-methylimidazole?
The IUPAC name of 4-(3-tert-butyl-5-chloro-4-fluorophenyl)-2-chloro-1-methylimidazole;4-(3-tert-butyl-5-chloro-4-fluorophenyl)-2,5-dichloro-1-methylimidazole;1-(3-tert-butyl-5-chloro-4-fluorophenyl)imidazole;4-(3-tert-butyl-5-chloro-4-fluorophenyl)-2-(2-methoxyethyl)-1-methylimidazole;5-(3-tert-butyl-5-chloro-4-fluorophenyl)-2-methyl-1H-imidazole;2-(3-tert-butyl-5-chloro-4-fluorophenyl)pyridine;4-(3-tert-butyl-4,5-dimethylphenyl)-2-chloro-1-methylimidazole (CID 165055490) is 4-(3-tert-butyl-5-chloro-4-fluorophenyl)-2-chloro-1-methylimidazole;4-(3-tert-butyl-5-chloro-4-fluorophenyl)-2,5-dichloro-1-methylimidazole;1-(3-tert-butyl-5-chloro-4-fluorophenyl)imidazole;4-(3-tert-butyl-5-chloro-4-fluorophenyl)-2-(2-methoxyethyl)-1-methylimidazole;5-(3-tert-butyl-5-chloro-4-fluorophenyl)-2-methyl-1H-imidazole;2-(3-tert-butyl-5-chloro-4-fluorophenyl)pyridine;4-(3-tert-butyl-4,5-dimethylphenyl)-2-chloro-1-methylimidazole.
What is the SMILES notation for 4-(3-tert-butyl-5-chloro-4-fluorophenyl)-2-chloro-1-methylimidazole;4-(3-tert-butyl-5-chloro-4-fluorophenyl)-2,5-dichloro-1-methylimidazole;1-(3-tert-butyl-5-chloro-4-fluorophenyl)imidazole;4-(3-tert-butyl-5-chloro-4-fluorophenyl)-2-(2-methoxyethyl)-1-methylimidazole;5-(3-tert-butyl-5-chloro-4-fluorophenyl)-2-methyl-1H-imidazole;2-(3-tert-butyl-5-chloro-4-fluorophenyl)pyridine;4-(3-tert-butyl-4,5-dimethylphenyl)-2-chloro-1-methylimidazole?
The canonical SMILES for 4-(3-tert-butyl-5-chloro-4-fluorophenyl)-2-chloro-1-methylimidazole;4-(3-tert-butyl-5-chloro-4-fluorophenyl)-2,5-dichloro-1-methylimidazole;1-(3-tert-butyl-5-chloro-4-fluorophenyl)imidazole;4-(3-tert-butyl-5-chloro-4-fluorophenyl)-2-(2-methoxyethyl)-1-methylimidazole;5-(3-tert-butyl-5-chloro-4-fluorophenyl)-2-methyl-1H-imidazole;2-(3-tert-butyl-5-chloro-4-fluorophenyl)pyridine;4-(3-tert-butyl-4,5-dimethylphenyl)-2-chloro-1-methylimidazole is CC(C)(C)c1cc(-c2ccccn2)cc(Cl)c1F.CC(C)(C)c1cc(-n2ccnc2)cc(Cl)c1F.COCCc1nc(-c2cc(Cl)c(F)c(C(C)(C)C)c2)cn1C.Cc1cc(-c2cn(C)c(Cl)n2)cc(C(C)(C)C)c1C.Cc1ncc(-c2cc(Cl)c(F)c(C(C)(C)C)c2)[nH]1.Cn1c(Cl)nc(-c2cc(Cl)c(F)c(C(C)(C)C)c2)c1Cl.Cn1cc(-c2cc(Cl)c(F)c(C(C)(C)C)c2)nc1Cl.
What is the InChIKey of 4-(3-tert-butyl-5-chloro-4-fluorophenyl)-2-chloro-1-methylimidazole;4-(3-tert-butyl-5-chloro-4-fluorophenyl)-2,5-dichloro-1-methylimidazole;1-(3-tert-butyl-5-chloro-4-fluorophenyl)imidazole;4-(3-tert-butyl-5-chloro-4-fluorophenyl)-2-(2-methoxyethyl)-1-methylimidazole;5-(3-tert-butyl-5-chloro-4-fluorophenyl)-2-methyl-1H-imidazole;2-(3-tert-butyl-5-chloro-4-fluorophenyl)pyridine;4-(3-tert-butyl-4,5-dimethylphenyl)-2-chloro-1-methylimidazole?
The InChIKey is QIPFORVWDFTWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClFN2O.C16H21ClN2.C15H15ClFN.C14H14Cl3FN2.C14H15Cl2FN2.C14H16ClFN2.C13H14ClFN2/c1-17(2,3)12-8-11(9-13(18)16(12)19)14-10-21(4)15(20-14)6-7-22-5;1-10-7-12(14-9-19(6)15(17)18-14)8-13(11(10)2)16(3,4)5;1-15(2,3)11-8-10(9-12(16)14(11)17)13-6-4-5-7-18-13;1-14(2,3)8-5-7(6-9(15)10(8)18)11-12(16)20(4)13(17)19-11;1-14(2,3)9-5-8(6-10(15)12(9)17)11-7-19(4)13(16)18-11;1-8-17-7-12(18-8)9-5-10(14(2,3)4)13(16)11(15)6-9;1-13(2,3)10-6-9(7-11(14)12(10)15)17-5-4-16-8-17/h8-10H,6-7H2,1-5H3;7-9H,1-6H3;4-9H,1-3H3;5-6H,1-4H3;5-7H,1-4H3;5-7H,1-4H3,(H,17,18);4-8H,1-3H3.
What are the key properties of 4-(3-tert-butyl-5-chloro-4-fluorophenyl)-2-chloro-1-methylimidazole;4-(3-tert-butyl-5-chloro-4-fluorophenyl)-2,5-dichloro-1-methylimidazole;1-(3-tert-butyl-5-chloro-4-fluorophenyl)imidazole;4-(3-tert-butyl-5-chloro-4-fluorophenyl)-2-(2-methoxyethyl)-1-methylimidazole;5-(3-tert-butyl-5-chloro-4-fluorophenyl)-2-methyl-1H-imidazole;2-(3-tert-butyl-5-chloro-4-fluorophenyl)pyridine;4-(3-tert-butyl-4,5-dimethylphenyl)-2-chloro-1-methylimidazole?
4-(3-tert-butyl-5-chloro-4-fluorophenyl)-2-chloro-1-methylimidazole;4-(3-tert-butyl-5-chloro-4-fluorophenyl)-2,5-dichloro-1-methylimidazole;1-(3-tert-butyl-5-chloro-4-fluorophenyl)imidazole;4-(3-tert-butyl-5-chloro-4-fluorophenyl)-2-(2-methoxyethyl)-1-methylimidazole;5-(3-tert-butyl-5-chloro-4-fluorophenyl)-2-methyl-1H-imidazole;2-(3-tert-butyl-5-chloro-4-fluorophenyl)pyridine;4-(3-tert-butyl-4,5-dimethylphenyl)-2-chloro-1-methylimidazole has a molecular weight of 2021.68 g/mol, XLogP of 32.61, 10 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-tert-butyl-5-chloro-4-fluorophenyl)-2-chloro-1-methylimidazole;4-(3-tert-butyl-5-chloro-4-fluorophenyl)-2,5-dichloro-1-methylimidazole;1-(3-tert-butyl-5-chloro-4-fluorophenyl)imidazole;4-(3-tert-butyl-5-chloro-4-fluorophenyl)-2-(2-methoxyethyl)-1-methylimidazole;5-(3-tert-butyl-5-chloro-4-fluorophenyl)-2-methyl-1H-imidazole;2-(3-tert-butyl-5-chloro-4-fluorophenyl)pyridine;4-(3-tert-butyl-4,5-dimethylphenyl)-2-chloro-1-methylimidazole is sourced from PubChem (CID 165055490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).