2-tert-butyl-4-chloro-1-methylbenzene;1-tert-butyl-4-methylbenzene;4-chloro-1-methyl-2-(trifluoromethyl)benzene;4-chloro-2-methyl-1-(trifluoromethyl)benzene;1,2-dimethylbenzimidazole;1,2-dimethylindole;5-fluoro-2-methyl-1,3-benzoxazole;6-fluoro-2-methylquinazoline;1-methyladamantane;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;3-methyl-1,2-benzothiazole;2-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;1-methylbicyclo[2.2.1]heptane;(2S)-2-methylbicyclo[2.2.1]heptane;1-methylisoquinoline;1-methylnaphthalene;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;1-methyl-2-(trifluoromethyl)benzene;1-methyl-3-(trifluoromethyl)benzene

C210H227Cl3F14N18O3S3 — CID 158056583

IUPAC2-tert-butyl-4-chloro-1-methylbenzene;1-tert-butyl-4-methylbenzene;4-chloro-1-methyl-2-(trifluoromethyl)benzene;4-chloro-2-methyl-1-(trifluoromethyl)benzene;1,2-dimethylbenzimidazole;1,2-dimethylindole;5-fluoro-2-methyl-1,3-benzoxazole;6-fluoro-2-methylquinazoline;1-methyladamantane;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;3-methyl-1,2-benzothiazole;2-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;1-methylbicyclo[2.2.1]heptane;(2S)-2-methylbicyclo[2.2.1]heptane;1-methylisoquinoline;1-methylnaphthalene;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;1-methyl-2-(trifluoromethyl)benzene;1-methyl-3-(trifluoromethyl)benzene
SMILESCC12CC3CC(CC(C3)C1)C2.CC12CCC(CC1)C2.C[C@H]1CC2CCC1C2.Cc1cc(Cl)ccc1C(F)(F)F.Cc1cc2ccccc2n1C.Cc1cc2ccccc2s1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(Cl)cc1C(C)(C)C.Cc1ccc(Cl)cc1C(F)(F)F.Cc1cccc(C(F)(F)F)c1.Cc1cccc2ccccc12.Cc1ccccc1C(F)(F)F.Cc1ccccn1.Cc1cccnc1.Cc1ccncc1.Cc1nc2cc(F)ccc2o1.Cc1nc2ccccc2[nH]1.Cc1nc2ccccc2n1C.Cc1nc2ccccc2o1.Cc1nc2ccccc2s1.Cc1ncc2cc(F)ccc2n1.Cc1nccc2ccccc12.Cc1ncccn1.Cc1noc2ccccc12.Cc1nsc2ccccc12
InChIInChI=1S/C11H15Cl.C11H18.C11H10.C11H16.C10H11N.C10H9N.C9H7FN2.C9H10N2.C9H8S.2C8H6ClF3.2C8H7F3.C8H6FNO.C8H8N2.2C8H7NO.2C8H7NS.2C8H14.3C6H7N.C5H6N2/c1-8-5-6-9(12)7-10(8)11(2,3)4;1-11-5-8-2-9(6-11)4-10(3-8)7-11;1-9-5-4-7-10-6-2-3-8-11(9)10;1-9-5-7-10(8-6-9)11(2,3)4;1-8-7-9-5-3-4-6-10(9)11(8)2;1-8-10-5-3-2-4-9(10)6-7-11-8;1-6-11-5-7-4-8(10)2-3-9(7)12-6;1-7-10-8-5-3-4-6-9(8)11(7)2;1-7-6-8-4-2-3-5-9(8)10-7;1-5-4-6(9)2-3-7(5)8(10,11)12;1-5-2-3-6(9)4-7(5)8(10,11)12;1-6-3-2-4-7(5-6)8(9,10)11;1-6-4-2-3-5-7(6)8(9,10)11;1-5-10-7-4-6(9)2-3-8(7)11-5;2*1-6-9-7-4-2-3-5-8(7)10-6;1-6-7-4-2-3-5-8(7)10-9-6;1-6-9-7-4-2-3-5-8(7)10-6;1-6-7-4-2-3-5-8(7)10-9-6;1-8-4-2-7(6-8)3-5-8;1-6-4-7-2-3-8(6)5-7;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-6-3-2-4-7-5/h5-7H,1-4H3;8-10H,2-7H2,1H3;2-8H,1H3;5-8H,1-4H3;3-7H,1-2H3;2-7H,1H3;2-5H,1H3;3-6H,1-2H3;2-6H,1H3;2*2-4H,1H3;2*2-5H,1H3;2-4H,1H3;2-5H,1H3,(H,9,10);4*2-5H,1H3;7H,2-6H2,1H3;6-8H,2-5H2,1H3;3*2-5H,1H3;2-4H,1H3/t;;;;;;;;;;;;;;;;;;;;6-,7?,8?;;;;/m....................0..../s1
InChIKeyFKCYQRLWKKACEP-AYSLNUEDSA-N
MW3519.78 g/mol
LogP62.78
Rot. Bonds

About 2-tert-butyl-4-chloro-1-methylbenzene;1-tert-butyl-4-methylbenzene;4-chloro-1-methyl-2-(trifluoromethyl)benzene;4-chloro-2-methyl-1-(trifluoromethyl)benzene;1,2-dimethylbenzimidazole;1,2-dimethylindole;5-fluoro-2-methyl-1,3-benzoxazole;6-fluoro-2-methylquinazoline;1-methyladamantane;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;3-methyl-1,2-benzothiazole;2-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;1-methylbicyclo[2.2.1]heptane;(2S)-2-methylbicyclo[2.2.1]heptane;1-methylisoquinoline;1-methylnaphthalene;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;1-methyl-2-(trifluoromethyl)benzene;1-methyl-3-(trifluoromethyl)benzene

2-tert-butyl-4-chloro-1-methylbenzene;1-tert-butyl-4-methylbenzene;4-chloro-1-methyl-2-(trifluoromethyl)benzene;4-chloro-2-methyl-1-(trifluoromethyl)benzene;1,2-dimethylbenzimidazole;1,2-dimethylindole;5-fluoro-2-methyl-1,3-benzoxazole;6-fluoro-2-methylquinazoline;1-methyladamantane;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;3-methyl-1,2-benzothiazole;2-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;1-methylbicyclo[2.2.1]heptane;(2S)-2-methylbicyclo[2.2.1]heptane;1-methylisoquinoline;1-methylnaphthalene;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;1-methyl-2-(trifluoromethyl)benzene;1-methyl-3-(trifluoromethyl)benzene (PubChem CID 158056583) has the molecular formula C210H227Cl3F14N18O3S3 and a molecular weight of 3519.78 g/mol. Its IUPAC name is 2-tert-butyl-4-chloro-1-methylbenzene;1-tert-butyl-4-methylbenzene;4-chloro-1-methyl-2-(trifluoromethyl)benzene;4-chloro-2-methyl-1-(trifluoromethyl)benzene;1,2-dimethylbenzimidazole;1,2-dimethylindole;5-fluoro-2-methyl-1,3-benzoxazole;6-fluoro-2-methylquinazoline;1-methyladamantane;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;3-methyl-1,2-benzothiazole;2-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;1-methylbicyclo[2.2.1]heptane;(2S)-2-methylbicyclo[2.2.1]heptane;1-methylisoquinoline;1-methylnaphthalene;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;1-methyl-2-(trifluoromethyl)benzene;1-methyl-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-tert-butyl-4-chloro-1-methylbenzene;1-tert-butyl-4-methylbenzene;4-chloro-1-methyl-2-(trifluoromethyl)benzene;4-chloro-2-methyl-1-(trifluoromethyl)benzene;1,2-dimethylbenzimidazole;1,2-dimethylindole;5-fluoro-2-methyl-1,3-benzoxazole;6-fluoro-2-methylquinazoline;1-methyladamantane;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;3-methyl-1,2-benzothiazole;2-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;1-methylbicyclo[2.2.1]heptane;(2S)-2-methylbicyclo[2.2.1]heptane;1-methylisoquinoline;1-methylnaphthalene;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;1-methyl-2-(trifluoromethyl)benzene;1-methyl-3-(trifluoromethyl)benzene
PubChem CID158056583
Molecular FormulaC210H227Cl3F14N18O3S3
Molecular Weight3519.78 g/mol
Exact Mass3515.62
IUPAC Name2-tert-butyl-4-chloro-1-methylbenzene;1-tert-butyl-4-methylbenzene;4-chloro-1-methyl-2-(trifluoromethyl)benzene;4-chloro-2-methyl-1-(trifluoromethyl)benzene;1,2-dimethylbenzimidazole;1,2-dimethylindole;5-fluoro-2-methyl-1,3-benzoxazole;6-fluoro-2-methylquinazoline;1-methyladamantane;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;3-methyl-1,2-benzothiazole;2-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;1-methylbicyclo[2.2.1]heptane;(2S)-2-methylbicyclo[2.2.1]heptane;1-methylisoquinoline;1-methylnaphthalene;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;1-methyl-2-(trifluoromethyl)benzene;1-methyl-3-(trifluoromethyl)benzene
SMILESCC12CC3CC(CC(C3)C1)C2.CC12CCC(CC1)C2.C[C@H]1CC2CCC1C2.Cc1cc(Cl)ccc1C(F)(F)F.Cc1cc2ccccc2n1C.Cc1cc2ccccc2s1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(Cl)cc1C(C)(C)C.Cc1ccc(Cl)cc1C(F)(F)F.Cc1cccc(C(F)(F)F)c1.Cc1cccc2ccccc12.Cc1ccccc1C(F)(F)F.Cc1ccccn1.Cc1cccnc1.Cc1ccncc1.Cc1nc2cc(F)ccc2o1.Cc1nc2ccccc2[nH]1.Cc1nc2ccccc2n1C.Cc1nc2ccccc2o1.Cc1nc2ccccc2s1.Cc1ncc2cc(F)ccc2n1.Cc1nccc2ccccc12.Cc1ncccn1.Cc1noc2ccccc12.Cc1nsc2ccccc12
InChIInChI=1S/C11H15Cl.C11H18.C11H10.C11H16.C10H11N.C10H9N.C9H7FN2.C9H10N2.C9H8S.2C8H6ClF3.2C8H7F3.C8H6FNO.C8H8N2.2C8H7NO.2C8H7NS.2C8H14.3C6H7N.C5H6N2/c1-8-5-6-9(12)7-10(8)11(2,3)4;1-11-5-8-2-9(6-11)4-10(3-8)7-11;1-9-5-4-7-10-6-2-3-8-11(9)10;1-9-5-7-10(8-6-9)11(2,3)4;1-8-7-9-5-3-4-6-10(9)11(8)2;1-8-10-5-3-2-4-9(10)6-7-11-8;1-6-11-5-7-4-8(10)2-3-9(7)12-6;1-7-10-8-5-3-4-6-9(8)11(7)2;1-7-6-8-4-2-3-5-9(8)10-7;1-5-4-6(9)2-3-7(5)8(10,11)12;1-5-2-3-6(9)4-7(5)8(10,11)12;1-6-3-2-4-7(5-6)8(9,10)11;1-6-4-2-3-5-7(6)8(9,10)11;1-5-10-7-4-6(9)2-3-8(7)11-5;2*1-6-9-7-4-2-3-5-8(7)10-6;1-6-7-4-2-3-5-8(7)10-9-6;1-6-9-7-4-2-3-5-8(7)10-6;1-6-7-4-2-3-5-8(7)10-9-6;1-8-4-2-7(6-8)3-5-8;1-6-4-7-2-3-8(6)5-7;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-6-3-2-4-7-5/h5-7H,1-4H3;8-10H,2-7H2,1H3;2-8H,1H3;5-8H,1-4H3;3-7H,1-2H3;2-7H,1H3;2-5H,1H3;3-6H,1-2H3;2-6H,1H3;2*2-4H,1H3;2*2-5H,1H3;2-4H,1H3;2-5H,1H3,(H,9,10);4*2-5H,1H3;7H,2-6H2,1H3;6-8H,2-5H2,1H3;3*2-5H,1H3;2-4H,1H3/t;;;;;;;;;;;;;;;;;;;;6-,7?,8?;;;;/m....................0..../s1
InChIKeyFKCYQRLWKKACEP-AYSLNUEDSA-N
XLogP62.78
TPSA258.42 Ų
H-Bond Donors1
H-Bond Acceptors23
Rotatable Bonds
Heavy Atoms251
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003519.78
LogP ≤ 562.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1023

Analyze 2-tert-butyl-4-chloro-1-methylbenzene;1-tert-butyl-4-methylbenzene;4-chloro-1-methyl-2-(trifluoromethyl)benzene;4-chloro-2-methyl-1-(trifluoromethyl)benzene;1,2-dimethylbenzimidazole;1,2-dimethylindole;5-fluoro-2-methyl-1,3-benzoxazole;6-fluoro-2-methylquinazoline;1-methyladamantane;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;3-methyl-1,2-benzothiazole;2-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;1-methylbicyclo[2.2.1]heptane;(2S)-2-methylbicyclo[2.2.1]heptane;1-methylisoquinoline;1-methylnaphthalene;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;1-methyl-2-(trifluoromethyl)benzene;1-methyl-3-(trifluoromethyl)benzene with MolForge

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Related Compounds

1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;1-(2-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine
CID 157464689
2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;2-propan-2-ylnaphthalene;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-4-(trifluoromethyl)pyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine
CID 159430087
CID 159620282
CID 159620282
2-(1-benzothiophen-2-yl)pyridine;2-[3,5-bis(trifluoromethyl)phenyl]pyridine;2-(2,4-difluorophenyl)-N,N-dimethylpyridin-4-amine;2-(2,4-difluorophenyl)-4-methoxypyridine;2-(2,4-difluorophenyl)pyridine;4,7-diphenylbenzo[h]quinoline;9-ethyl-2-(1-phenylbenzimidazol-2-yl)carbazole;2-(5-methylthiophen-2-yl)pyridine;2-naphthalen-1-yl-1,3-benzoxazole;2-phenyl-1,3-benzothiazole;bis(2-phenylpyridine);2-thiophen-2-yl-5-(trifluoromethyl)pyridine
CID 160694799
N,N-dimethyl-6-propan-2-yl-1H-benzimidazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzothiazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,2-benzoxazol-3-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzoxazol-2-amine;2-ethyl-6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;N-methyl-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine;1-methyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline;6-propan-2-yl-1,2-benzoxazol-3-amine;2-propan-2-yl-4,5,6,7-tetrahydrofuro[3,2-c]pyridine;3-propan-2-yl-5,6,7,8-tetrahydro-1,7-naphthyridine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;2-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;3-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;2-propan-2-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 160863111
N,N-dimethyl-6-propan-2-yl-1H-benzimidazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzothiazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,2-benzoxazol-3-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzoxazol-2-amine;1,2-dimethyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydroisoquinoline;1-methyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline;6-propan-2-yl-1,2-benzoxazol-3-amine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;2-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;3-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;2-propan-2-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 160944258
1-cyclopentyl-3-propan-2-ylbenzene;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-4-(trifluoromethyl)pyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine
CID 161044231
N-tert-butyl-1-benzofuran-2-amine;N-tert-butyl-1,3-benzothiazol-2-amine;N-tert-butyl-1-benzothiophen-2-amine;N-tert-butyl-1,2-benzoxazol-3-amine;N-tert-butyl-1,3-benzoxazol-2-amine;N-tert-butyl-1,3-dihydroindol-2-imine;N-tert-butyl-1H-inden-2-amine;N-tert-butyl-3H-inden-1-amine;N-tert-butyl-3H-isoindol-1-amine;N-tert-butylisoquinolin-3-amine;N-tert-butylquinazolin-2-amine;N-tert-butylquinolin-2-amine;N-tert-butylquinolin-3-amine;N-tert-butylquinoxalin-2-amine
CID 157122002
2-methyl-1H-benzimidazole;2-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;2-methyl-2,3-dihydro-1H-indene;2-methyl-1H-indole;2-methylnaphthalene;2-methylquinazoline;2-methylquinoxaline;2-methyl-1,2,3,4-tetrahydronaphthalene;6-methyl-1,2,3,4-tetrahydronaphthalene
CID 157300079
4,5-dimethyl-2-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1H-indole;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine
CID 157314615
2,5-dimethyl-4-propan-2-yl-1,3-oxazole;methane;5-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-thiazole;3-methyl-2-propan-2-ylthiophene;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;tris(2-propan-2-yl-1,3-benzothiazole);2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1H-indole;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;2-propan-2-ylquinazoline;4-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-ylthiophene
CID 157492790
2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1H-indole;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine
CID 157510393

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-chloro-1-methylbenzene;1-tert-butyl-4-methylbenzene;4-chloro-1-methyl-2-(trifluoromethyl)benzene;4-chloro-2-methyl-1-(trifluoromethyl)benzene;1,2-dimethylbenzimidazole;1,2-dimethylindole;5-fluoro-2-methyl-1,3-benzoxazole;6-fluoro-2-methylquinazoline;1-methyladamantane;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;3-methyl-1,2-benzothiazole;2-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;1-methylbicyclo[2.2.1]heptane;(2S)-2-methylbicyclo[2.2.1]heptane;1-methylisoquinoline;1-methylnaphthalene;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;1-methyl-2-(trifluoromethyl)benzene;1-methyl-3-(trifluoromethyl)benzene?
The IUPAC name of 2-tert-butyl-4-chloro-1-methylbenzene;1-tert-butyl-4-methylbenzene;4-chloro-1-methyl-2-(trifluoromethyl)benzene;4-chloro-2-methyl-1-(trifluoromethyl)benzene;1,2-dimethylbenzimidazole;1,2-dimethylindole;5-fluoro-2-methyl-1,3-benzoxazole;6-fluoro-2-methylquinazoline;1-methyladamantane;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;3-methyl-1,2-benzothiazole;2-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;1-methylbicyclo[2.2.1]heptane;(2S)-2-methylbicyclo[2.2.1]heptane;1-methylisoquinoline;1-methylnaphthalene;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;1-methyl-2-(trifluoromethyl)benzene;1-methyl-3-(trifluoromethyl)benzene (CID 158056583) is 2-tert-butyl-4-chloro-1-methylbenzene;1-tert-butyl-4-methylbenzene;4-chloro-1-methyl-2-(trifluoromethyl)benzene;4-chloro-2-methyl-1-(trifluoromethyl)benzene;1,2-dimethylbenzimidazole;1,2-dimethylindole;5-fluoro-2-methyl-1,3-benzoxazole;6-fluoro-2-methylquinazoline;1-methyladamantane;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;3-methyl-1,2-benzothiazole;2-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;1-methylbicyclo[2.2.1]heptane;(2S)-2-methylbicyclo[2.2.1]heptane;1-methylisoquinoline;1-methylnaphthalene;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;1-methyl-2-(trifluoromethyl)benzene;1-methyl-3-(trifluoromethyl)benzene.
What is the SMILES notation for 2-tert-butyl-4-chloro-1-methylbenzene;1-tert-butyl-4-methylbenzene;4-chloro-1-methyl-2-(trifluoromethyl)benzene;4-chloro-2-methyl-1-(trifluoromethyl)benzene;1,2-dimethylbenzimidazole;1,2-dimethylindole;5-fluoro-2-methyl-1,3-benzoxazole;6-fluoro-2-methylquinazoline;1-methyladamantane;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;3-methyl-1,2-benzothiazole;2-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;1-methylbicyclo[2.2.1]heptane;(2S)-2-methylbicyclo[2.2.1]heptane;1-methylisoquinoline;1-methylnaphthalene;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;1-methyl-2-(trifluoromethyl)benzene;1-methyl-3-(trifluoromethyl)benzene?
The canonical SMILES for 2-tert-butyl-4-chloro-1-methylbenzene;1-tert-butyl-4-methylbenzene;4-chloro-1-methyl-2-(trifluoromethyl)benzene;4-chloro-2-methyl-1-(trifluoromethyl)benzene;1,2-dimethylbenzimidazole;1,2-dimethylindole;5-fluoro-2-methyl-1,3-benzoxazole;6-fluoro-2-methylquinazoline;1-methyladamantane;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;3-methyl-1,2-benzothiazole;2-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;1-methylbicyclo[2.2.1]heptane;(2S)-2-methylbicyclo[2.2.1]heptane;1-methylisoquinoline;1-methylnaphthalene;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;1-methyl-2-(trifluoromethyl)benzene;1-methyl-3-(trifluoromethyl)benzene is CC12CC3CC(CC(C3)C1)C2.CC12CCC(CC1)C2.C[C@H]1CC2CCC1C2.Cc1cc(Cl)ccc1C(F)(F)F.Cc1cc2ccccc2n1C.Cc1cc2ccccc2s1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(Cl)cc1C(C)(C)C.Cc1ccc(Cl)cc1C(F)(F)F.Cc1cccc(C(F)(F)F)c1.Cc1cccc2ccccc12.Cc1ccccc1C(F)(F)F.Cc1ccccn1.Cc1cccnc1.Cc1ccncc1.Cc1nc2cc(F)ccc2o1.Cc1nc2ccccc2[nH]1.Cc1nc2ccccc2n1C.Cc1nc2ccccc2o1.Cc1nc2ccccc2s1.Cc1ncc2cc(F)ccc2n1.Cc1nccc2ccccc12.Cc1ncccn1.Cc1noc2ccccc12.Cc1nsc2ccccc12.
What is the InChIKey of 2-tert-butyl-4-chloro-1-methylbenzene;1-tert-butyl-4-methylbenzene;4-chloro-1-methyl-2-(trifluoromethyl)benzene;4-chloro-2-methyl-1-(trifluoromethyl)benzene;1,2-dimethylbenzimidazole;1,2-dimethylindole;5-fluoro-2-methyl-1,3-benzoxazole;6-fluoro-2-methylquinazoline;1-methyladamantane;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;3-methyl-1,2-benzothiazole;2-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;1-methylbicyclo[2.2.1]heptane;(2S)-2-methylbicyclo[2.2.1]heptane;1-methylisoquinoline;1-methylnaphthalene;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;1-methyl-2-(trifluoromethyl)benzene;1-methyl-3-(trifluoromethyl)benzene?
The InChIKey is FKCYQRLWKKACEP-AYSLNUEDSA-N. The full InChI is InChI=1S/C11H15Cl.C11H18.C11H10.C11H16.C10H11N.C10H9N.C9H7FN2.C9H10N2.C9H8S.2C8H6ClF3.2C8H7F3.C8H6FNO.C8H8N2.2C8H7NO.2C8H7NS.2C8H14.3C6H7N.C5H6N2/c1-8-5-6-9(12)7-10(8)11(2,3)4;1-11-5-8-2-9(6-11)4-10(3-8)7-11;1-9-5-4-7-10-6-2-3-8-11(9)10;1-9-5-7-10(8-6-9)11(2,3)4;1-8-7-9-5-3-4-6-10(9)11(8)2;1-8-10-5-3-2-4-9(10)6-7-11-8;1-6-11-5-7-4-8(10)2-3-9(7)12-6;1-7-10-8-5-3-4-6-9(8)11(7)2;1-7-6-8-4-2-3-5-9(8)10-7;1-5-4-6(9)2-3-7(5)8(10,11)12;1-5-2-3-6(9)4-7(5)8(10,11)12;1-6-3-2-4-7(5-6)8(9,10)11;1-6-4-2-3-5-7(6)8(9,10)11;1-5-10-7-4-6(9)2-3-8(7)11-5;2*1-6-9-7-4-2-3-5-8(7)10-6;1-6-7-4-2-3-5-8(7)10-9-6;1-6-9-7-4-2-3-5-8(7)10-6;1-6-7-4-2-3-5-8(7)10-9-6;1-8-4-2-7(6-8)3-5-8;1-6-4-7-2-3-8(6)5-7;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-6-3-2-4-7-5/h5-7H,1-4H3;8-10H,2-7H2,1H3;2-8H,1H3;5-8H,1-4H3;3-7H,1-2H3;2-7H,1H3;2-5H,1H3;3-6H,1-2H3;2-6H,1H3;2*2-4H,1H3;2*2-5H,1H3;2-4H,1H3;2-5H,1H3,(H,9,10);4*2-5H,1H3;7H,2-6H2,1H3;6-8H,2-5H2,1H3;3*2-5H,1H3;2-4H,1H3/t;;;;;;;;;;;;;;;;;;;;6-,7?,8?;;;;/m....................0..../s1.
What are the key properties of 2-tert-butyl-4-chloro-1-methylbenzene;1-tert-butyl-4-methylbenzene;4-chloro-1-methyl-2-(trifluoromethyl)benzene;4-chloro-2-methyl-1-(trifluoromethyl)benzene;1,2-dimethylbenzimidazole;1,2-dimethylindole;5-fluoro-2-methyl-1,3-benzoxazole;6-fluoro-2-methylquinazoline;1-methyladamantane;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;3-methyl-1,2-benzothiazole;2-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;1-methylbicyclo[2.2.1]heptane;(2S)-2-methylbicyclo[2.2.1]heptane;1-methylisoquinoline;1-methylnaphthalene;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;1-methyl-2-(trifluoromethyl)benzene;1-methyl-3-(trifluoromethyl)benzene?
2-tert-butyl-4-chloro-1-methylbenzene;1-tert-butyl-4-methylbenzene;4-chloro-1-methyl-2-(trifluoromethyl)benzene;4-chloro-2-methyl-1-(trifluoromethyl)benzene;1,2-dimethylbenzimidazole;1,2-dimethylindole;5-fluoro-2-methyl-1,3-benzoxazole;6-fluoro-2-methylquinazoline;1-methyladamantane;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;3-methyl-1,2-benzothiazole;2-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;1-methylbicyclo[2.2.1]heptane;(2S)-2-methylbicyclo[2.2.1]heptane;1-methylisoquinoline;1-methylnaphthalene;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;1-methyl-2-(trifluoromethyl)benzene;1-methyl-3-(trifluoromethyl)benzene has a molecular weight of 3519.78 g/mol, XLogP of 62.78, 0 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-chloro-1-methylbenzene;1-tert-butyl-4-methylbenzene;4-chloro-1-methyl-2-(trifluoromethyl)benzene;4-chloro-2-methyl-1-(trifluoromethyl)benzene;1,2-dimethylbenzimidazole;1,2-dimethylindole;5-fluoro-2-methyl-1,3-benzoxazole;6-fluoro-2-methylquinazoline;1-methyladamantane;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;3-methyl-1,2-benzothiazole;2-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;1-methylbicyclo[2.2.1]heptane;(2S)-2-methylbicyclo[2.2.1]heptane;1-methylisoquinoline;1-methylnaphthalene;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;1-methyl-2-(trifluoromethyl)benzene;1-methyl-3-(trifluoromethyl)benzene is sourced from PubChem (CID 158056583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).