1-chloro-2-methyl-3-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyrazine;3-chloro-6-propan-2-ylpyridazine;1,2-difluoro-5-methyl-3-propan-2-ylbenzene;2,3-difluoro-6-propan-2-ylphenol;1,2-dimethyl-4-propan-2-ylbenzene;1-ethoxy-2-propan-2-ylbenzene;3-ethyl-1-methyl-5-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;1-fluoro-2,5-dimethyl-3-propan-2-ylbenzene;2-methoxy-6-propan-2-ylphenol;1-methyl-2-propan-2-ylbenzimidazole;5-methyl-2-propan-2-yl-1H-imidazole;5-methyl-3-propan-2-yl-1H-pyridin-2-one;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;2-phenyl-3-propan-2-yl-1H-pyrrole;7-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-ylpyridine;6-propan-2-ylpyridine-3-carbonitrile;3-propan-2-yl-2,4,5,6-tetrahydrocyclopenta[c]pyrrole;bis(4-propan-2-yl-1,3-thiazole);5-propan-2-yl-1,3-thiazole

C216H296Cl3F11N22O8S3 — CID 162282133

IUPAC1-chloro-2-methyl-3-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyrazine;3-chloro-6-propan-2-ylpyridazine;1,2-difluoro-5-methyl-3-propan-2-ylbenzene;2,3-difluoro-6-propan-2-ylphenol;1,2-dimethyl-4-propan-2-ylbenzene;1-ethoxy-2-propan-2-ylbenzene;3-ethyl-1-methyl-5-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;1-fluoro-2,5-dimethyl-3-propan-2-ylbenzene;2-methoxy-6-propan-2-ylphenol;1-methyl-2-propan-2-ylbenzimidazole;5-methyl-2-propan-2-yl-1H-imidazole;5-methyl-3-propan-2-yl-1H-pyridin-2-one;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;2-phenyl-3-propan-2-yl-1H-pyrrole;7-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-ylpyridine;6-propan-2-ylpyridine-3-carbonitrile;3-propan-2-yl-2,4,5,6-tetrahydrocyclopenta[c]pyrrole;bis(4-propan-2-yl-1,3-thiazole);5-propan-2-yl-1,3-thiazole
SMILESCC(C)c1[nH]cc2c1CCC2.CC(C)c1cc[nH]c1-c1ccccc1.CC(C)c1ccc(C#N)cn1.CC(C)c1ccc(Cl)nn1.CC(C)c1ccc(F)c(F)c1O.CC(C)c1cccc2c1OCC2.CC(C)c1cccnc1.CC(C)c1cn(C)nc1C(F)(F)F.CC(C)c1cnc(Cl)cn1.CC(C)c1cncs1.CC(C)c1cscn1.CC(C)c1cscn1.CC(C)c1nc2ccccc2n1C.CCOc1ccccc1C(C)C.CCc1cc(C(C)C)n(C)n1.CCc1ocnc1C(C)C.COc1cccc(C(C)C)c1O.Cc1c(Cl)cccc1C(C)C.Cc1c[nH]c(=O)c(C(C)C)c1.Cc1cc(C(C)C)c(C(F)(F)F)o1.Cc1cc(F)c(C)c(C(C)C)c1.Cc1cc(F)c(F)c(C(C)C)c1.Cc1ccc(C(C)C)cc1C.Cc1cnc(C(C)C)[nH]1
InChIInChI=1S/C13H15N.C11H15F.C11H14N2.C11H14O.C11H16O.C11H16.C10H13Cl.C10H12F2.C10H15N.C10H14O2.C9H11F3O.C9H10F2O.C9H16N2.C9H10N2.C9H13NO.C8H11F3N2.C8H13NO.C8H11N.2C7H9ClN2.C7H12N2.3C6H9NS/c1-10(2)12-8-9-14-13(12)11-6-4-3-5-7-11;1-7(2)10-5-8(3)6-11(12)9(10)4;1-8(2)11-12-9-6-4-5-7-10(9)13(11)3;1-8(2)10-5-3-4-9-6-7-12-11(9)10;1-4-12-11-8-6-5-7-10(11)9(2)3;1-8(2)11-6-5-9(3)10(4)7-11;1-7(2)9-5-4-6-10(11)8(9)3;1-6(2)8-4-7(3)5-9(11)10(8)12;1-7(2)10-9-5-3-4-8(9)6-11-10;1-7(2)8-5-4-6-9(12-3)10(8)11;1-5(2)7-4-6(3)13-8(7)9(10,11)12;1-5(2)6-3-4-7(10)8(11)9(6)12;1-5-8-6-9(7(2)3)11(4)10-8;1-7(2)9-4-3-8(5-10)6-11-9;1-6(2)8-4-7(3)5-10-9(8)11;1-5(2)6-4-13(3)12-7(6)8(9,10)11;1-4-7-8(6(2)3)9-5-10-7;1-7(2)8-4-3-5-9-6-8;1-5(2)6-3-10-7(8)4-9-6;1-5(2)6-3-4-7(8)10-9-6;1-5(2)7-8-4-6(3)9-7;2*1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6/h3-10,14H,1-2H3;5-7H,1-4H3;4-8H,1-3H3;3-5,8H,6-7H2,1-2H3;5-9H,4H2,1-3H3;5-8H,1-4H3;4-7H,1-3H3;4-6H,1-3H3;6-7,11H,3-5H2,1-2H3;4-7,11H,1-3H3;4-5H,1-3H3;3-5,12H,1-2H3;6-7H,5H2,1-4H3;3-4,6-7H,1-2H3;4-6H,1-3H3,(H,10,11);4-5H,1-3H3;5-6H,4H2,1-3H3;3-7H,1-2H3;2*3-5H,1-2H3;4-5H,1-3H3,(H,8,9);3*3-5H,1-2H3
InChIKeyQWOFYIDYVFJEIN-UHFFFAOYSA-N
MW3740.43 g/mol
LogP64.56
Rot. Bonds30

About 1-chloro-2-methyl-3-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyrazine;3-chloro-6-propan-2-ylpyridazine;1,2-difluoro-5-methyl-3-propan-2-ylbenzene;2,3-difluoro-6-propan-2-ylphenol;1,2-dimethyl-4-propan-2-ylbenzene;1-ethoxy-2-propan-2-ylbenzene;3-ethyl-1-methyl-5-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;1-fluoro-2,5-dimethyl-3-propan-2-ylbenzene;2-methoxy-6-propan-2-ylphenol;1-methyl-2-propan-2-ylbenzimidazole;5-methyl-2-propan-2-yl-1H-imidazole;5-methyl-3-propan-2-yl-1H-pyridin-2-one;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;2-phenyl-3-propan-2-yl-1H-pyrrole;7-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-ylpyridine;6-propan-2-ylpyridine-3-carbonitrile;3-propan-2-yl-2,4,5,6-tetrahydrocyclopenta[c]pyrrole;bis(4-propan-2-yl-1,3-thiazole);5-propan-2-yl-1,3-thiazole

1-chloro-2-methyl-3-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyrazine;3-chloro-6-propan-2-ylpyridazine;1,2-difluoro-5-methyl-3-propan-2-ylbenzene;2,3-difluoro-6-propan-2-ylphenol;1,2-dimethyl-4-propan-2-ylbenzene;1-ethoxy-2-propan-2-ylbenzene;3-ethyl-1-methyl-5-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;1-fluoro-2,5-dimethyl-3-propan-2-ylbenzene;2-methoxy-6-propan-2-ylphenol;1-methyl-2-propan-2-ylbenzimidazole;5-methyl-2-propan-2-yl-1H-imidazole;5-methyl-3-propan-2-yl-1H-pyridin-2-one;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;2-phenyl-3-propan-2-yl-1H-pyrrole;7-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-ylpyridine;6-propan-2-ylpyridine-3-carbonitrile;3-propan-2-yl-2,4,5,6-tetrahydrocyclopenta[c]pyrrole;bis(4-propan-2-yl-1,3-thiazole);5-propan-2-yl-1,3-thiazole (PubChem CID 162282133) has the molecular formula C216H296Cl3F11N22O8S3 and a molecular weight of 3740.43 g/mol. Its IUPAC name is 1-chloro-2-methyl-3-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyrazine;3-chloro-6-propan-2-ylpyridazine;1,2-difluoro-5-methyl-3-propan-2-ylbenzene;2,3-difluoro-6-propan-2-ylphenol;1,2-dimethyl-4-propan-2-ylbenzene;1-ethoxy-2-propan-2-ylbenzene;3-ethyl-1-methyl-5-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;1-fluoro-2,5-dimethyl-3-propan-2-ylbenzene;2-methoxy-6-propan-2-ylphenol;1-methyl-2-propan-2-ylbenzimidazole;5-methyl-2-propan-2-yl-1H-imidazole;5-methyl-3-propan-2-yl-1H-pyridin-2-one;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;2-phenyl-3-propan-2-yl-1H-pyrrole;7-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-ylpyridine;6-propan-2-ylpyridine-3-carbonitrile;3-propan-2-yl-2,4,5,6-tetrahydrocyclopenta[c]pyrrole;bis(4-propan-2-yl-1,3-thiazole);5-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name1-chloro-2-methyl-3-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyrazine;3-chloro-6-propan-2-ylpyridazine;1,2-difluoro-5-methyl-3-propan-2-ylbenzene;2,3-difluoro-6-propan-2-ylphenol;1,2-dimethyl-4-propan-2-ylbenzene;1-ethoxy-2-propan-2-ylbenzene;3-ethyl-1-methyl-5-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;1-fluoro-2,5-dimethyl-3-propan-2-ylbenzene;2-methoxy-6-propan-2-ylphenol;1-methyl-2-propan-2-ylbenzimidazole;5-methyl-2-propan-2-yl-1H-imidazole;5-methyl-3-propan-2-yl-1H-pyridin-2-one;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;2-phenyl-3-propan-2-yl-1H-pyrrole;7-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-ylpyridine;6-propan-2-ylpyridine-3-carbonitrile;3-propan-2-yl-2,4,5,6-tetrahydrocyclopenta[c]pyrrole;bis(4-propan-2-yl-1,3-thiazole);5-propan-2-yl-1,3-thiazole
PubChem CID162282133
Molecular FormulaC216H296Cl3F11N22O8S3
Molecular Weight3740.43 g/mol
Exact Mass3736.15
IUPAC Name1-chloro-2-methyl-3-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyrazine;3-chloro-6-propan-2-ylpyridazine;1,2-difluoro-5-methyl-3-propan-2-ylbenzene;2,3-difluoro-6-propan-2-ylphenol;1,2-dimethyl-4-propan-2-ylbenzene;1-ethoxy-2-propan-2-ylbenzene;3-ethyl-1-methyl-5-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;1-fluoro-2,5-dimethyl-3-propan-2-ylbenzene;2-methoxy-6-propan-2-ylphenol;1-methyl-2-propan-2-ylbenzimidazole;5-methyl-2-propan-2-yl-1H-imidazole;5-methyl-3-propan-2-yl-1H-pyridin-2-one;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;2-phenyl-3-propan-2-yl-1H-pyrrole;7-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-ylpyridine;6-propan-2-ylpyridine-3-carbonitrile;3-propan-2-yl-2,4,5,6-tetrahydrocyclopenta[c]pyrrole;bis(4-propan-2-yl-1,3-thiazole);5-propan-2-yl-1,3-thiazole
SMILESCC(C)c1[nH]cc2c1CCC2.CC(C)c1cc[nH]c1-c1ccccc1.CC(C)c1ccc(C#N)cn1.CC(C)c1ccc(Cl)nn1.CC(C)c1ccc(F)c(F)c1O.CC(C)c1cccc2c1OCC2.CC(C)c1cccnc1.CC(C)c1cn(C)nc1C(F)(F)F.CC(C)c1cnc(Cl)cn1.CC(C)c1cncs1.CC(C)c1cscn1.CC(C)c1cscn1.CC(C)c1nc2ccccc2n1C.CCOc1ccccc1C(C)C.CCc1cc(C(C)C)n(C)n1.CCc1ocnc1C(C)C.COc1cccc(C(C)C)c1O.Cc1c(Cl)cccc1C(C)C.Cc1c[nH]c(=O)c(C(C)C)c1.Cc1cc(C(C)C)c(C(F)(F)F)o1.Cc1cc(F)c(C)c(C(C)C)c1.Cc1cc(F)c(F)c(C(C)C)c1.Cc1ccc(C(C)C)cc1C.Cc1cnc(C(C)C)[nH]1
InChIInChI=1S/C13H15N.C11H15F.C11H14N2.C11H14O.C11H16O.C11H16.C10H13Cl.C10H12F2.C10H15N.C10H14O2.C9H11F3O.C9H10F2O.C9H16N2.C9H10N2.C9H13NO.C8H11F3N2.C8H13NO.C8H11N.2C7H9ClN2.C7H12N2.3C6H9NS/c1-10(2)12-8-9-14-13(12)11-6-4-3-5-7-11;1-7(2)10-5-8(3)6-11(12)9(10)4;1-8(2)11-12-9-6-4-5-7-10(9)13(11)3;1-8(2)10-5-3-4-9-6-7-12-11(9)10;1-4-12-11-8-6-5-7-10(11)9(2)3;1-8(2)11-6-5-9(3)10(4)7-11;1-7(2)9-5-4-6-10(11)8(9)3;1-6(2)8-4-7(3)5-9(11)10(8)12;1-7(2)10-9-5-3-4-8(9)6-11-10;1-7(2)8-5-4-6-9(12-3)10(8)11;1-5(2)7-4-6(3)13-8(7)9(10,11)12;1-5(2)6-3-4-7(10)8(11)9(6)12;1-5-8-6-9(7(2)3)11(4)10-8;1-7(2)9-4-3-8(5-10)6-11-9;1-6(2)8-4-7(3)5-10-9(8)11;1-5(2)6-4-13(3)12-7(6)8(9,10)11;1-4-7-8(6(2)3)9-5-10-7;1-7(2)8-4-3-5-9-6-8;1-5(2)6-3-10-7(8)4-9-6;1-5(2)6-3-4-7(8)10-9-6;1-5(2)7-8-4-6(3)9-7;2*1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6/h3-10,14H,1-2H3;5-7H,1-4H3;4-8H,1-3H3;3-5,8H,6-7H2,1-2H3;5-9H,4H2,1-3H3;5-8H,1-4H3;4-7H,1-3H3;4-6H,1-3H3;6-7,11H,3-5H2,1-2H3;4-7,11H,1-3H3;4-5H,1-3H3;3-5,12H,1-2H3;6-7H,5H2,1-4H3;3-4,6-7H,1-2H3;4-6H,1-3H3,(H,10,11);4-5H,1-3H3;5-6H,4H2,1-3H3;3-7H,1-2H3;2*3-5H,1-2H3;4-5H,1-3H3,(H,8,9);3*3-5H,1-2H3
InChIKeyQWOFYIDYVFJEIN-UHFFFAOYSA-N
XLogP64.56
TPSA393.70 Ų
H-Bond Donors6
H-Bond Acceptors29
Rotatable Bonds30
Heavy Atoms263
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003740.43
LogP ≤ 564.56
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1029

Analyze 1-chloro-2-methyl-3-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyrazine;3-chloro-6-propan-2-ylpyridazine;1,2-difluoro-5-methyl-3-propan-2-ylbenzene;2,3-difluoro-6-propan-2-ylphenol;1,2-dimethyl-4-propan-2-ylbenzene;1-ethoxy-2-propan-2-ylbenzene;3-ethyl-1-methyl-5-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;1-fluoro-2,5-dimethyl-3-propan-2-ylbenzene;2-methoxy-6-propan-2-ylphenol;1-methyl-2-propan-2-ylbenzimidazole;5-methyl-2-propan-2-yl-1H-imidazole;5-methyl-3-propan-2-yl-1H-pyridin-2-one;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;2-phenyl-3-propan-2-yl-1H-pyrrole;7-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-ylpyridine;6-propan-2-ylpyridine-3-carbonitrile;3-propan-2-yl-2,4,5,6-tetrahydrocyclopenta[c]pyrrole;bis(4-propan-2-yl-1,3-thiazole);5-propan-2-yl-1,3-thiazole with MolForge

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Launch Full Analysis

Related Compounds

2-chloro-3-fluoro-4-propan-2-ylpyridine;1-chloro-2-methyl-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;2-cyclohexyl-3-propan-2-yl-1H-pyrrole;5-cyclopropyl-3-propan-2-yl-1H-pyrazole;1,2-difluoro-5-methyl-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;5-ethynyl-2-propan-2-ylpyridine;1-fluoro-2,5-dimethyl-3-propan-2-ylbenzene;2-fluoro-3-methyl-6-propan-2-ylphenol;3-methoxy-2-propan-2-ylthiophene;1-methyl-2-propan-2-ylbenzimidazole;2-methyl-5-propan-2-ylpyrazine;4-methyl-2-propan-2-ylpyridine;5-methyl-3-propan-2-yl-1H-pyridin-2-one;4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;2-phenyl-3-propan-2-yl-1H-pyrrole;bis(4-propan-2-yl-1,3-thiazole);2-propan-2-ylthieno[2,3-b]pyridine
CID 162268271
1-chloro-2-methyl-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;3-ethyl-1-methyl-5-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;5-ethynyl-2-propan-2-ylpyridine;1-fluoro-2,5-dimethyl-3-propan-2-ylbenzene;2-methoxy-6-propan-2-ylphenol;1-methyl-2-propan-2-ylbenzimidazole;2-methyl-5-propan-2-ylpyrazine;3-methyl-6-propan-2-ylpyridazine;5-methyl-3-propan-2-yl-1H-pyridin-2-one;4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;2-phenyl-3-propan-2-yl-1H-pyrrole;7-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-ylpyridine;3-propan-2-yl-2,4,5,6-tetrahydrocyclopenta[c]pyrrole;4-propan-2-yl-1,3-thiazole
CID 162268272
CID 162268766
CID 162268766
CID 162268850
CID 162268850
CID 162268877
CID 162268877
CID 162282013
CID 162282013
1-chloro-2-methyl-3-propan-2-ylbenzene;2-chloro-1-methyl-4-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyrazine;3-chloro-6-propan-2-ylpyridazine;1-ethoxy-2-propan-2-ylbenzene;3-ethyl-1-methyl-5-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;1-fluoro-2,5-dimethyl-3-propan-2-ylbenzene;2-methoxy-6-propan-2-ylphenol;1-methyl-2-propan-2-ylbenzimidazole;5-methyl-3-propan-2-yl-1H-pyridin-2-one;2-methyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole;4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;5-phenyl-4-propan-2-yl-1H-pyrazole;7-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-ylpyridine;6-propan-2-ylpyridine-3-carbonitrile;3-propan-2-yl-2,4,5,6-tetrahydrocyclopenta[c]pyrrole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 162282016
1-chloro-4-methoxy-2-propan-2-ylbenzene;1-chloro-2-methyl-3-propan-2-ylbenzene;2-chloro-1-methyl-4-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyrazine;3-chloro-6-propan-2-ylpyridazine;1-ethoxy-2-propan-2-ylbenzene;1-ethyl-5-methyl-3-propan-2-ylpyrazole;3-ethyl-1-methyl-5-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;2-methoxy-6-propan-2-ylphenol;1-methyl-2-propan-2-ylbenzimidazole;5-methyl-2-propan-2-yl-1H-imidazole;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-ylpyridine;2-methyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole;4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;5-phenyl-4-propan-2-yl-1H-pyrazole;7-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyrimidine;3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;5-propan-2-yl-1,3-thiazole
CID 162282017
CID 162282061
CID 162282061
CID 162282063
CID 162282063
2-chloro-3-fluoro-4-propan-2-ylpyridine;1-chloro-2-methyl-3-propan-2-ylbenzene;2-chloro-1-methyl-4-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyrazine;3-chloro-5-propan-2-ylpyridine;5-chloro-3-propan-2-yl-1H-pyridin-2-one;5-cyclohexyl-4-propan-2-yl-1H-pyrazole;5-cyclopropyl-3-propan-2-yl-1H-pyrazole;1,5-difluoro-2-methyl-3-propan-2-ylbenzene;2,3-difluoro-6-propan-2-ylphenol;3,4-difluoro-5-propan-2-ylphenol;3-methoxy-2-propan-2-ylthiophene;1-methyl-2-propan-2-ylbenzimidazole;4-methyl-2-propan-2-ylpyridine;4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;5-phenyl-4-propan-2-yl-1H-pyrazole;6-propan-2-ylimidazo[2,1-b][1,3]thiazole;6-propan-2-ylpyridine-3-carbonitrile;4-propan-2-ylthiadiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthieno[2,3-b]pyridine
CID 162282064
1-benzofuran;bis(1,3-benzothiazole);bis(1,3-benzoxazole);4-chloro-1H-indene-2-carbonitrile;5H-cyclopenta[b]pyridine;7H-cyclopenta[c]pyridine;5H-cyclopenta[d]pyrimidine;2,4-dimethyl-1H-indene;2,7-dimethyl-3H-inden-5-ol;(2,7-dimethyl-3H-inden-5-yl)methanol;6-ethoxy-2-methyl-1H-indene;6-hydroxy-1H-indene-2-carbonitrile;imidazo[1,2-a]pyridine;1H-indene;bis(2H-indene);3H-indole;indolizine;2-methyl-1H-indene;4-methyl-1H-indene;(2-methyl-3H-inden-5-yl)methanol;7H-purine;1H-pyrrolo[2,3-b]pyridine
CID 161591320

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-methyl-3-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyrazine;3-chloro-6-propan-2-ylpyridazine;1,2-difluoro-5-methyl-3-propan-2-ylbenzene;2,3-difluoro-6-propan-2-ylphenol;1,2-dimethyl-4-propan-2-ylbenzene;1-ethoxy-2-propan-2-ylbenzene;3-ethyl-1-methyl-5-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;1-fluoro-2,5-dimethyl-3-propan-2-ylbenzene;2-methoxy-6-propan-2-ylphenol;1-methyl-2-propan-2-ylbenzimidazole;5-methyl-2-propan-2-yl-1H-imidazole;5-methyl-3-propan-2-yl-1H-pyridin-2-one;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;2-phenyl-3-propan-2-yl-1H-pyrrole;7-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-ylpyridine;6-propan-2-ylpyridine-3-carbonitrile;3-propan-2-yl-2,4,5,6-tetrahydrocyclopenta[c]pyrrole;bis(4-propan-2-yl-1,3-thiazole);5-propan-2-yl-1,3-thiazole?
The IUPAC name of 1-chloro-2-methyl-3-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyrazine;3-chloro-6-propan-2-ylpyridazine;1,2-difluoro-5-methyl-3-propan-2-ylbenzene;2,3-difluoro-6-propan-2-ylphenol;1,2-dimethyl-4-propan-2-ylbenzene;1-ethoxy-2-propan-2-ylbenzene;3-ethyl-1-methyl-5-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;1-fluoro-2,5-dimethyl-3-propan-2-ylbenzene;2-methoxy-6-propan-2-ylphenol;1-methyl-2-propan-2-ylbenzimidazole;5-methyl-2-propan-2-yl-1H-imidazole;5-methyl-3-propan-2-yl-1H-pyridin-2-one;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;2-phenyl-3-propan-2-yl-1H-pyrrole;7-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-ylpyridine;6-propan-2-ylpyridine-3-carbonitrile;3-propan-2-yl-2,4,5,6-tetrahydrocyclopenta[c]pyrrole;bis(4-propan-2-yl-1,3-thiazole);5-propan-2-yl-1,3-thiazole (CID 162282133) is 1-chloro-2-methyl-3-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyrazine;3-chloro-6-propan-2-ylpyridazine;1,2-difluoro-5-methyl-3-propan-2-ylbenzene;2,3-difluoro-6-propan-2-ylphenol;1,2-dimethyl-4-propan-2-ylbenzene;1-ethoxy-2-propan-2-ylbenzene;3-ethyl-1-methyl-5-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;1-fluoro-2,5-dimethyl-3-propan-2-ylbenzene;2-methoxy-6-propan-2-ylphenol;1-methyl-2-propan-2-ylbenzimidazole;5-methyl-2-propan-2-yl-1H-imidazole;5-methyl-3-propan-2-yl-1H-pyridin-2-one;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;2-phenyl-3-propan-2-yl-1H-pyrrole;7-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-ylpyridine;6-propan-2-ylpyridine-3-carbonitrile;3-propan-2-yl-2,4,5,6-tetrahydrocyclopenta[c]pyrrole;bis(4-propan-2-yl-1,3-thiazole);5-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 1-chloro-2-methyl-3-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyrazine;3-chloro-6-propan-2-ylpyridazine;1,2-difluoro-5-methyl-3-propan-2-ylbenzene;2,3-difluoro-6-propan-2-ylphenol;1,2-dimethyl-4-propan-2-ylbenzene;1-ethoxy-2-propan-2-ylbenzene;3-ethyl-1-methyl-5-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;1-fluoro-2,5-dimethyl-3-propan-2-ylbenzene;2-methoxy-6-propan-2-ylphenol;1-methyl-2-propan-2-ylbenzimidazole;5-methyl-2-propan-2-yl-1H-imidazole;5-methyl-3-propan-2-yl-1H-pyridin-2-one;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;2-phenyl-3-propan-2-yl-1H-pyrrole;7-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-ylpyridine;6-propan-2-ylpyridine-3-carbonitrile;3-propan-2-yl-2,4,5,6-tetrahydrocyclopenta[c]pyrrole;bis(4-propan-2-yl-1,3-thiazole);5-propan-2-yl-1,3-thiazole?
The canonical SMILES for 1-chloro-2-methyl-3-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyrazine;3-chloro-6-propan-2-ylpyridazine;1,2-difluoro-5-methyl-3-propan-2-ylbenzene;2,3-difluoro-6-propan-2-ylphenol;1,2-dimethyl-4-propan-2-ylbenzene;1-ethoxy-2-propan-2-ylbenzene;3-ethyl-1-methyl-5-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;1-fluoro-2,5-dimethyl-3-propan-2-ylbenzene;2-methoxy-6-propan-2-ylphenol;1-methyl-2-propan-2-ylbenzimidazole;5-methyl-2-propan-2-yl-1H-imidazole;5-methyl-3-propan-2-yl-1H-pyridin-2-one;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;2-phenyl-3-propan-2-yl-1H-pyrrole;7-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-ylpyridine;6-propan-2-ylpyridine-3-carbonitrile;3-propan-2-yl-2,4,5,6-tetrahydrocyclopenta[c]pyrrole;bis(4-propan-2-yl-1,3-thiazole);5-propan-2-yl-1,3-thiazole is CC(C)c1[nH]cc2c1CCC2.CC(C)c1cc[nH]c1-c1ccccc1.CC(C)c1ccc(C#N)cn1.CC(C)c1ccc(Cl)nn1.CC(C)c1ccc(F)c(F)c1O.CC(C)c1cccc2c1OCC2.CC(C)c1cccnc1.CC(C)c1cn(C)nc1C(F)(F)F.CC(C)c1cnc(Cl)cn1.CC(C)c1cncs1.CC(C)c1cscn1.CC(C)c1cscn1.CC(C)c1nc2ccccc2n1C.CCOc1ccccc1C(C)C.CCc1cc(C(C)C)n(C)n1.CCc1ocnc1C(C)C.COc1cccc(C(C)C)c1O.Cc1c(Cl)cccc1C(C)C.Cc1c[nH]c(=O)c(C(C)C)c1.Cc1cc(C(C)C)c(C(F)(F)F)o1.Cc1cc(F)c(C)c(C(C)C)c1.Cc1cc(F)c(F)c(C(C)C)c1.Cc1ccc(C(C)C)cc1C.Cc1cnc(C(C)C)[nH]1.
What is the InChIKey of 1-chloro-2-methyl-3-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyrazine;3-chloro-6-propan-2-ylpyridazine;1,2-difluoro-5-methyl-3-propan-2-ylbenzene;2,3-difluoro-6-propan-2-ylphenol;1,2-dimethyl-4-propan-2-ylbenzene;1-ethoxy-2-propan-2-ylbenzene;3-ethyl-1-methyl-5-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;1-fluoro-2,5-dimethyl-3-propan-2-ylbenzene;2-methoxy-6-propan-2-ylphenol;1-methyl-2-propan-2-ylbenzimidazole;5-methyl-2-propan-2-yl-1H-imidazole;5-methyl-3-propan-2-yl-1H-pyridin-2-one;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;2-phenyl-3-propan-2-yl-1H-pyrrole;7-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-ylpyridine;6-propan-2-ylpyridine-3-carbonitrile;3-propan-2-yl-2,4,5,6-tetrahydrocyclopenta[c]pyrrole;bis(4-propan-2-yl-1,3-thiazole);5-propan-2-yl-1,3-thiazole?
The InChIKey is QWOFYIDYVFJEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N.C11H15F.C11H14N2.C11H14O.C11H16O.C11H16.C10H13Cl.C10H12F2.C10H15N.C10H14O2.C9H11F3O.C9H10F2O.C9H16N2.C9H10N2.C9H13NO.C8H11F3N2.C8H13NO.C8H11N.2C7H9ClN2.C7H12N2.3C6H9NS/c1-10(2)12-8-9-14-13(12)11-6-4-3-5-7-11;1-7(2)10-5-8(3)6-11(12)9(10)4;1-8(2)11-12-9-6-4-5-7-10(9)13(11)3;1-8(2)10-5-3-4-9-6-7-12-11(9)10;1-4-12-11-8-6-5-7-10(11)9(2)3;1-8(2)11-6-5-9(3)10(4)7-11;1-7(2)9-5-4-6-10(11)8(9)3;1-6(2)8-4-7(3)5-9(11)10(8)12;1-7(2)10-9-5-3-4-8(9)6-11-10;1-7(2)8-5-4-6-9(12-3)10(8)11;1-5(2)7-4-6(3)13-8(7)9(10,11)12;1-5(2)6-3-4-7(10)8(11)9(6)12;1-5-8-6-9(7(2)3)11(4)10-8;1-7(2)9-4-3-8(5-10)6-11-9;1-6(2)8-4-7(3)5-10-9(8)11;1-5(2)6-4-13(3)12-7(6)8(9,10)11;1-4-7-8(6(2)3)9-5-10-7;1-7(2)8-4-3-5-9-6-8;1-5(2)6-3-10-7(8)4-9-6;1-5(2)6-3-4-7(8)10-9-6;1-5(2)7-8-4-6(3)9-7;2*1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6/h3-10,14H,1-2H3;5-7H,1-4H3;4-8H,1-3H3;3-5,8H,6-7H2,1-2H3;5-9H,4H2,1-3H3;5-8H,1-4H3;4-7H,1-3H3;4-6H,1-3H3;6-7,11H,3-5H2,1-2H3;4-7,11H,1-3H3;4-5H,1-3H3;3-5,12H,1-2H3;6-7H,5H2,1-4H3;3-4,6-7H,1-2H3;4-6H,1-3H3,(H,10,11);4-5H,1-3H3;5-6H,4H2,1-3H3;3-7H,1-2H3;2*3-5H,1-2H3;4-5H,1-3H3,(H,8,9);3*3-5H,1-2H3.
What are the key properties of 1-chloro-2-methyl-3-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyrazine;3-chloro-6-propan-2-ylpyridazine;1,2-difluoro-5-methyl-3-propan-2-ylbenzene;2,3-difluoro-6-propan-2-ylphenol;1,2-dimethyl-4-propan-2-ylbenzene;1-ethoxy-2-propan-2-ylbenzene;3-ethyl-1-methyl-5-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;1-fluoro-2,5-dimethyl-3-propan-2-ylbenzene;2-methoxy-6-propan-2-ylphenol;1-methyl-2-propan-2-ylbenzimidazole;5-methyl-2-propan-2-yl-1H-imidazole;5-methyl-3-propan-2-yl-1H-pyridin-2-one;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;2-phenyl-3-propan-2-yl-1H-pyrrole;7-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-ylpyridine;6-propan-2-ylpyridine-3-carbonitrile;3-propan-2-yl-2,4,5,6-tetrahydrocyclopenta[c]pyrrole;bis(4-propan-2-yl-1,3-thiazole);5-propan-2-yl-1,3-thiazole?
1-chloro-2-methyl-3-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyrazine;3-chloro-6-propan-2-ylpyridazine;1,2-difluoro-5-methyl-3-propan-2-ylbenzene;2,3-difluoro-6-propan-2-ylphenol;1,2-dimethyl-4-propan-2-ylbenzene;1-ethoxy-2-propan-2-ylbenzene;3-ethyl-1-methyl-5-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;1-fluoro-2,5-dimethyl-3-propan-2-ylbenzene;2-methoxy-6-propan-2-ylphenol;1-methyl-2-propan-2-ylbenzimidazole;5-methyl-2-propan-2-yl-1H-imidazole;5-methyl-3-propan-2-yl-1H-pyridin-2-one;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;2-phenyl-3-propan-2-yl-1H-pyrrole;7-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-ylpyridine;6-propan-2-ylpyridine-3-carbonitrile;3-propan-2-yl-2,4,5,6-tetrahydrocyclopenta[c]pyrrole;bis(4-propan-2-yl-1,3-thiazole);5-propan-2-yl-1,3-thiazole has a molecular weight of 3740.43 g/mol, XLogP of 64.56, 30 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-methyl-3-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyrazine;3-chloro-6-propan-2-ylpyridazine;1,2-difluoro-5-methyl-3-propan-2-ylbenzene;2,3-difluoro-6-propan-2-ylphenol;1,2-dimethyl-4-propan-2-ylbenzene;1-ethoxy-2-propan-2-ylbenzene;3-ethyl-1-methyl-5-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;1-fluoro-2,5-dimethyl-3-propan-2-ylbenzene;2-methoxy-6-propan-2-ylphenol;1-methyl-2-propan-2-ylbenzimidazole;5-methyl-2-propan-2-yl-1H-imidazole;5-methyl-3-propan-2-yl-1H-pyridin-2-one;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;2-phenyl-3-propan-2-yl-1H-pyrrole;7-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-ylpyridine;6-propan-2-ylpyridine-3-carbonitrile;3-propan-2-yl-2,4,5,6-tetrahydrocyclopenta[c]pyrrole;bis(4-propan-2-yl-1,3-thiazole);5-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 162282133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).