1,2-dimethyl-5-propan-2-ylindole;3-fluoro-2-methyl-5-propan-2-yl-1H-indole;2-methyl-5-propan-2-yl-1-benzofuran;2-methyl-5-propan-2-yl-1,3-benzothiazole;2-methyl-6-propan-2-yl-1,3-benzothiazole;2-methyl-5-propan-2-yl-1-benzothiophene;2-methyl-6-propan-2-yl-1-benzothiophene;2-methyl-6-propan-2-ylimidazo[1,2-a]pyridine;2-methyl-5-propan-2-yl-1H-indole;3-methyl-5-propan-2-yl-1H-indole;3-methyl-6-propan-2-yl-1H-indole;1-(2-methyl-5-propan-2-ylindol-1-yl)ethanone;2-methyl-7-propan-2-ylnaphthalene;2-methyl-5-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-methyl-7-propan-2-ylquinoline;3-methyl-6-propan-2-ylquinoline;2-methyl-7-propan-2-ylquinoxaline

C207H249FN16O2S4 — CID 164966365

IUPAC1,2-dimethyl-5-propan-2-ylindole;3-fluoro-2-methyl-5-propan-2-yl-1H-indole;2-methyl-5-propan-2-yl-1-benzofuran;2-methyl-5-propan-2-yl-1,3-benzothiazole;2-methyl-6-propan-2-yl-1,3-benzothiazole;2-methyl-5-propan-2-yl-1-benzothiophene;2-methyl-6-propan-2-yl-1-benzothiophene;2-methyl-6-propan-2-ylimidazo[1,2-a]pyridine;2-methyl-5-propan-2-yl-1H-indole;3-methyl-5-propan-2-yl-1H-indole;3-methyl-6-propan-2-yl-1H-indole;1-(2-methyl-5-propan-2-ylindol-1-yl)ethanone;2-methyl-7-propan-2-ylnaphthalene;2-methyl-5-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-methyl-7-propan-2-ylquinoline;3-methyl-6-propan-2-ylquinoline;2-methyl-7-propan-2-ylquinoxaline
SMILESCC(=O)n1c(C)cc2cc(C(C)C)ccc21.Cc1[nH]c2ccc(C(C)C)cc2c1F.Cc1c[nH]c2cc(C(C)C)ccc12.Cc1c[nH]c2ccc(C(C)C)cc12.Cc1cc2cc(C(C)C)ccc2[nH]1.Cc1cc2cc(C(C)C)ccc2n1C.Cc1cc2cc(C(C)C)ccc2o1.Cc1cc2cc(C(C)C)ccc2s1.Cc1cc2cc(C(C)C)ncc2[nH]1.Cc1cc2ccc(C(C)C)cc2s1.Cc1ccc2ccc(C(C)C)cc2c1.Cc1ccc2ccc(C(C)C)cc2n1.Cc1cn2cc(C(C)C)ccc2n1.Cc1cnc2ccc(C(C)C)cc2c1.Cc1cnc2ccc(C(C)C)cc2n1.Cc1nc2cc(C(C)C)ccc2s1.Cc1nc2ccc(C(C)C)cc2s1
InChIInChI=1S/C14H17NO.C14H16.C13H17N.2C13H15N.C12H14FN.C12H14N2.3C12H15N.C12H14O.2C12H14S.2C11H14N2.2C11H13NS/c1-9(2)12-5-6-14-13(8-12)7-10(3)15(14)11(4)16;1-10(2)13-7-6-12-5-4-11(3)8-14(12)9-13;1-9(2)11-5-6-13-12(8-11)7-10(3)14(13)4;1-9(2)11-4-5-13-12(7-11)6-10(3)8-14-13;1-9(2)12-7-6-11-5-4-10(3)14-13(11)8-12;1-7(2)9-4-5-11-10(6-9)12(13)8(3)14-11;1-8(2)10-4-5-11-12(6-10)14-9(3)7-13-11;1-8(2)10-4-5-12-11(6-10)9(3)7-13-12;1-8(2)10-4-5-11-9(3)7-13-12(11)6-10;3*1-8(2)10-4-5-12-11(7-10)6-9(3)13-12;1-8(2)10-4-5-11-6-9(3)13-12(11)7-10;1-7(2)10-5-9-4-8(3)13-11(9)6-12-10;1-8(2)10-4-5-11-12-9(3)6-13(11)7-10;1-7(2)9-4-5-11-10(6-9)12-8(3)13-11;1-7(2)9-4-5-10-11(6-9)13-8(3)12-10/h5-9H,1-4H3;4-10H,1-3H3;5-9H,1-4H3;2*4-9H,1-3H3;4-7,14H,1-3H3;4-8H,1-3H3;3*4-8,13H,1-3H3;3*4-8H,1-3H3;4-7,13H,1-3H3;4-8H,1-3H3;2*4-7H,1-3H3
InChIKeyCNMFSCIIMYUUCY-UHFFFAOYSA-N
MW3140.64 g/mol
LogP62.30
Rot. Bonds17

About 1,2-dimethyl-5-propan-2-ylindole;3-fluoro-2-methyl-5-propan-2-yl-1H-indole;2-methyl-5-propan-2-yl-1-benzofuran;2-methyl-5-propan-2-yl-1,3-benzothiazole;2-methyl-6-propan-2-yl-1,3-benzothiazole;2-methyl-5-propan-2-yl-1-benzothiophene;2-methyl-6-propan-2-yl-1-benzothiophene;2-methyl-6-propan-2-ylimidazo[1,2-a]pyridine;2-methyl-5-propan-2-yl-1H-indole;3-methyl-5-propan-2-yl-1H-indole;3-methyl-6-propan-2-yl-1H-indole;1-(2-methyl-5-propan-2-ylindol-1-yl)ethanone;2-methyl-7-propan-2-ylnaphthalene;2-methyl-5-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-methyl-7-propan-2-ylquinoline;3-methyl-6-propan-2-ylquinoline;2-methyl-7-propan-2-ylquinoxaline

1,2-dimethyl-5-propan-2-ylindole;3-fluoro-2-methyl-5-propan-2-yl-1H-indole;2-methyl-5-propan-2-yl-1-benzofuran;2-methyl-5-propan-2-yl-1,3-benzothiazole;2-methyl-6-propan-2-yl-1,3-benzothiazole;2-methyl-5-propan-2-yl-1-benzothiophene;2-methyl-6-propan-2-yl-1-benzothiophene;2-methyl-6-propan-2-ylimidazo[1,2-a]pyridine;2-methyl-5-propan-2-yl-1H-indole;3-methyl-5-propan-2-yl-1H-indole;3-methyl-6-propan-2-yl-1H-indole;1-(2-methyl-5-propan-2-ylindol-1-yl)ethanone;2-methyl-7-propan-2-ylnaphthalene;2-methyl-5-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-methyl-7-propan-2-ylquinoline;3-methyl-6-propan-2-ylquinoline;2-methyl-7-propan-2-ylquinoxaline (PubChem CID 164966365) has the molecular formula C207H249FN16O2S4 and a molecular weight of 3140.64 g/mol. Its IUPAC name is 1,2-dimethyl-5-propan-2-ylindole;3-fluoro-2-methyl-5-propan-2-yl-1H-indole;2-methyl-5-propan-2-yl-1-benzofuran;2-methyl-5-propan-2-yl-1,3-benzothiazole;2-methyl-6-propan-2-yl-1,3-benzothiazole;2-methyl-5-propan-2-yl-1-benzothiophene;2-methyl-6-propan-2-yl-1-benzothiophene;2-methyl-6-propan-2-ylimidazo[1,2-a]pyridine;2-methyl-5-propan-2-yl-1H-indole;3-methyl-5-propan-2-yl-1H-indole;3-methyl-6-propan-2-yl-1H-indole;1-(2-methyl-5-propan-2-ylindol-1-yl)ethanone;2-methyl-7-propan-2-ylnaphthalene;2-methyl-5-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-methyl-7-propan-2-ylquinoline;3-methyl-6-propan-2-ylquinoline;2-methyl-7-propan-2-ylquinoxaline.

Molecular Properties

Compound Name1,2-dimethyl-5-propan-2-ylindole;3-fluoro-2-methyl-5-propan-2-yl-1H-indole;2-methyl-5-propan-2-yl-1-benzofuran;2-methyl-5-propan-2-yl-1,3-benzothiazole;2-methyl-6-propan-2-yl-1,3-benzothiazole;2-methyl-5-propan-2-yl-1-benzothiophene;2-methyl-6-propan-2-yl-1-benzothiophene;2-methyl-6-propan-2-ylimidazo[1,2-a]pyridine;2-methyl-5-propan-2-yl-1H-indole;3-methyl-5-propan-2-yl-1H-indole;3-methyl-6-propan-2-yl-1H-indole;1-(2-methyl-5-propan-2-ylindol-1-yl)ethanone;2-methyl-7-propan-2-ylnaphthalene;2-methyl-5-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-methyl-7-propan-2-ylquinoline;3-methyl-6-propan-2-ylquinoline;2-methyl-7-propan-2-ylquinoxaline
PubChem CID164966365
Molecular FormulaC207H249FN16O2S4
Molecular Weight3140.64 g/mol
Exact Mass3137.87
IUPAC Name1,2-dimethyl-5-propan-2-ylindole;3-fluoro-2-methyl-5-propan-2-yl-1H-indole;2-methyl-5-propan-2-yl-1-benzofuran;2-methyl-5-propan-2-yl-1,3-benzothiazole;2-methyl-6-propan-2-yl-1,3-benzothiazole;2-methyl-5-propan-2-yl-1-benzothiophene;2-methyl-6-propan-2-yl-1-benzothiophene;2-methyl-6-propan-2-ylimidazo[1,2-a]pyridine;2-methyl-5-propan-2-yl-1H-indole;3-methyl-5-propan-2-yl-1H-indole;3-methyl-6-propan-2-yl-1H-indole;1-(2-methyl-5-propan-2-ylindol-1-yl)ethanone;2-methyl-7-propan-2-ylnaphthalene;2-methyl-5-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-methyl-7-propan-2-ylquinoline;3-methyl-6-propan-2-ylquinoline;2-methyl-7-propan-2-ylquinoxaline
SMILESCC(=O)n1c(C)cc2cc(C(C)C)ccc21.Cc1[nH]c2ccc(C(C)C)cc2c1F.Cc1c[nH]c2cc(C(C)C)ccc12.Cc1c[nH]c2ccc(C(C)C)cc12.Cc1cc2cc(C(C)C)ccc2[nH]1.Cc1cc2cc(C(C)C)ccc2n1C.Cc1cc2cc(C(C)C)ccc2o1.Cc1cc2cc(C(C)C)ccc2s1.Cc1cc2cc(C(C)C)ncc2[nH]1.Cc1cc2ccc(C(C)C)cc2s1.Cc1ccc2ccc(C(C)C)cc2c1.Cc1ccc2ccc(C(C)C)cc2n1.Cc1cn2cc(C(C)C)ccc2n1.Cc1cnc2ccc(C(C)C)cc2c1.Cc1cnc2ccc(C(C)C)cc2n1.Cc1nc2cc(C(C)C)ccc2s1.Cc1nc2ccc(C(C)C)cc2s1
InChIInChI=1S/C14H17NO.C14H16.C13H17N.2C13H15N.C12H14FN.C12H14N2.3C12H15N.C12H14O.2C12H14S.2C11H14N2.2C11H13NS/c1-9(2)12-5-6-14-13(8-12)7-10(3)15(14)11(4)16;1-10(2)13-7-6-12-5-4-11(3)8-14(12)9-13;1-9(2)11-5-6-13-12(8-11)7-10(3)14(13)4;1-9(2)11-4-5-13-12(7-11)6-10(3)8-14-13;1-9(2)12-7-6-11-5-4-10(3)14-13(11)8-12;1-7(2)9-4-5-11-10(6-9)12(13)8(3)14-11;1-8(2)10-4-5-11-12(6-10)14-9(3)7-13-11;1-8(2)10-4-5-12-11(6-10)9(3)7-13-12;1-8(2)10-4-5-11-9(3)7-13-12(11)6-10;3*1-8(2)10-4-5-12-11(7-10)6-9(3)13-12;1-8(2)10-4-5-11-6-9(3)13-12(11)7-10;1-7(2)10-5-9-4-8(3)13-11(9)6-12-10;1-8(2)10-4-5-11-12-9(3)6-13(11)7-10;1-7(2)9-4-5-11-10(6-9)12-8(3)13-11;1-7(2)9-4-5-10-11(6-9)13-8(3)12-10/h5-9H,1-4H3;4-10H,1-3H3;5-9H,1-4H3;2*4-9H,1-3H3;4-7,14H,1-3H3;4-8H,1-3H3;3*4-8,13H,1-3H3;3*4-8H,1-3H3;4-7,13H,1-3H3;4-8H,1-3H3;2*4-7H,1-3H3
InChIKeyCNMFSCIIMYUUCY-UHFFFAOYSA-N
XLogP62.30
TPSA226.55 Ų
H-Bond Donors5
H-Bond Acceptors17
Rotatable Bonds17
Heavy Atoms230
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003140.64
LogP ≤ 562.30
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1017

Analyze 1,2-dimethyl-5-propan-2-ylindole;3-fluoro-2-methyl-5-propan-2-yl-1H-indole;2-methyl-5-propan-2-yl-1-benzofuran;2-methyl-5-propan-2-yl-1,3-benzothiazole;2-methyl-6-propan-2-yl-1,3-benzothiazole;2-methyl-5-propan-2-yl-1-benzothiophene;2-methyl-6-propan-2-yl-1-benzothiophene;2-methyl-6-propan-2-ylimidazo[1,2-a]pyridine;2-methyl-5-propan-2-yl-1H-indole;3-methyl-5-propan-2-yl-1H-indole;3-methyl-6-propan-2-yl-1H-indole;1-(2-methyl-5-propan-2-ylindol-1-yl)ethanone;2-methyl-7-propan-2-ylnaphthalene;2-methyl-5-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-methyl-7-propan-2-ylquinoline;3-methyl-6-propan-2-ylquinoline;2-methyl-7-propan-2-ylquinoxaline with MolForge

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Related Compounds

2,2-difluoro-5-methyl-1,3-benzodioxole;2,6-dimethyl-1H-benzimidazole;2,6-dimethyl-1-benzofuran;2,5-dimethyl-1H-indole;2,6-dimethyl-1H-indole;2-ethyl-6-methyl-1-benzofuran;methane;6-methyl-1H-benzimidazol-2-amine;6-methyl-1H-benzimidazole;6-methyl-1,3-benzothiazol-2-amine;5-methyl-1,3-benzothiazole;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;5-methyl-2,3-dihydro-1H-isoindole;6-methylimidazo[1,2-a]pyridin-2-amine;5-methyl-1H-indole;7-methyl-1H-indole;6-methyl-2-pyridin-2-yl-1H-benzimidazole;1,2,5-trimethylindole
CID 157425506
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
CID 157652393
CID 157652393
tert-butylbenzene;bis(6-tert-butyl-1H-benzimidazole);1-tert-butylcyclopenta-1,3-diene;bis(2-tert-butylcyclopenta-1,3-diene);4-tert-butyl-1,1-difluorocyclohexane;bis(2-tert-butylfuran);3-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;2-tert-butylnaphthalene;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;3-tert-butyl-1H-pyrrole;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;6-tert-butylquinoline;2-tert-butylthiophene;2-methylpropane;piperidine
CID 157716365
(4R)-4-[(1R)-1-[7-(3-methylbenzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(3-methylbenzimidazol-5-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[[7-(2-methyl-1,3-benzothiazol-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[[7-[4-[1-(4-methylpiperazin-1-yl)ethenyl]phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 158744610
1-(1,1-Difluoroethyl)-3-methyl-5-(trifluoromethyl)benzene;2,6-dimethyl-1,3-benzothiazole;2,5-dimethyl-1-benzothiophene;2,6-dimethyl-1,3-benzoxazole;3,7-dimethylimidazo[4,5-f]benzimidazole;2,3-dimethyl-1,10-phenanthroline;10-methylacridin-9-one;4-methylbenzene-1,2-dicarbonitrile;4-methyl-[1]benzothiolo[2,3-b]pyridine;9-methylcarbazole;4-methyldibenzothiophene;6-methyl-2-phenyl-1,3-benzoxazole;1-(4-methylphenyl)ethanone;9-methylpyrido[2,3-b]indole;3-methylquinoline;8-methyl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,2,2-trifluoro-1-(3-methylphenyl)ethanone
CID 158821818
1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone;[4-(8-amino-1-quinolin-7-ylimidazo[1,5-a]pyrazin-3-yl)piperidin-1-yl]-thiophen-3-ylmethanone;3-[4-(1H-benzimidazol-2-yl)cyclohexyl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine
CID 159047989
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
5-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-5-methylimidazo[2,1-b][1,3]thiazole;1-chloro-6-methylnaphthalene;4,5-dimethyl-2,1,3-benzothiadiazole;3,8-dimethylquinoline;2-ethylnaphthalene;2-methyl-1H-benzimidazole;4-methyl-2,1,3-benzothiadiazole;6-methyl-3H-1,3-benzothiazol-2-one;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;6-methylchromen-2-one;2-methyldibenzofuran;7-methyl-1,5-dihydro-1,5-benzodiazepine-2,4-dione;5-methyl-2,3-dihydro-1-benzofuran;5-methylisoquinoline;2-methylnaphthalene;8-methylquinoline;2,2,2-trifluoro-1-(7-methyl-3,4,4a,8a-tetrahydro-1H-isoquinolin-2-yl)ethanone;2,2,6-trimethyl-3,4-dihydrochromene
CID 159629687
CID 160156765
CID 160156765
2-(1-Benzothiophen-2-yl)pyridine;2-(9,9-diethylfluoren-2-yl)-1-phenylbenzimidazole;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;2-phenylpyridine;2-quinolin-2-ylquinoline;2-thiophen-2-yl-5-(trifluoromethyl)pyridine
CID 160455830
1-(1,1-Difluoroethyl)-3-methyl-5-(trifluoromethyl)benzene;2,6-dimethyl-1,3-benzothiazole;2,5-dimethyl-1-benzothiophene;2,6-dimethyl-1,3-benzoxazole;3,7-dimethylimidazo[4,5-f]benzimidazole;2,3-dimethyl-1,10-phenanthroline;10-methylacridin-9-one;4-methylbenzene-1,2-dicarbonitrile;4-methyl-[1]benzothiolo[2,3-b]pyridine;9-methylcarbazole;4-methyldibenzothiophene;6-methyl-2-phenyl-1,3-benzoxazole;1-(4-methylphenyl)ethanone;9-methylpyrido[2,3-b]indole;8-methyl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 160688113

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-5-propan-2-ylindole;3-fluoro-2-methyl-5-propan-2-yl-1H-indole;2-methyl-5-propan-2-yl-1-benzofuran;2-methyl-5-propan-2-yl-1,3-benzothiazole;2-methyl-6-propan-2-yl-1,3-benzothiazole;2-methyl-5-propan-2-yl-1-benzothiophene;2-methyl-6-propan-2-yl-1-benzothiophene;2-methyl-6-propan-2-ylimidazo[1,2-a]pyridine;2-methyl-5-propan-2-yl-1H-indole;3-methyl-5-propan-2-yl-1H-indole;3-methyl-6-propan-2-yl-1H-indole;1-(2-methyl-5-propan-2-ylindol-1-yl)ethanone;2-methyl-7-propan-2-ylnaphthalene;2-methyl-5-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-methyl-7-propan-2-ylquinoline;3-methyl-6-propan-2-ylquinoline;2-methyl-7-propan-2-ylquinoxaline?
The IUPAC name of 1,2-dimethyl-5-propan-2-ylindole;3-fluoro-2-methyl-5-propan-2-yl-1H-indole;2-methyl-5-propan-2-yl-1-benzofuran;2-methyl-5-propan-2-yl-1,3-benzothiazole;2-methyl-6-propan-2-yl-1,3-benzothiazole;2-methyl-5-propan-2-yl-1-benzothiophene;2-methyl-6-propan-2-yl-1-benzothiophene;2-methyl-6-propan-2-ylimidazo[1,2-a]pyridine;2-methyl-5-propan-2-yl-1H-indole;3-methyl-5-propan-2-yl-1H-indole;3-methyl-6-propan-2-yl-1H-indole;1-(2-methyl-5-propan-2-ylindol-1-yl)ethanone;2-methyl-7-propan-2-ylnaphthalene;2-methyl-5-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-methyl-7-propan-2-ylquinoline;3-methyl-6-propan-2-ylquinoline;2-methyl-7-propan-2-ylquinoxaline (CID 164966365) is 1,2-dimethyl-5-propan-2-ylindole;3-fluoro-2-methyl-5-propan-2-yl-1H-indole;2-methyl-5-propan-2-yl-1-benzofuran;2-methyl-5-propan-2-yl-1,3-benzothiazole;2-methyl-6-propan-2-yl-1,3-benzothiazole;2-methyl-5-propan-2-yl-1-benzothiophene;2-methyl-6-propan-2-yl-1-benzothiophene;2-methyl-6-propan-2-ylimidazo[1,2-a]pyridine;2-methyl-5-propan-2-yl-1H-indole;3-methyl-5-propan-2-yl-1H-indole;3-methyl-6-propan-2-yl-1H-indole;1-(2-methyl-5-propan-2-ylindol-1-yl)ethanone;2-methyl-7-propan-2-ylnaphthalene;2-methyl-5-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-methyl-7-propan-2-ylquinoline;3-methyl-6-propan-2-ylquinoline;2-methyl-7-propan-2-ylquinoxaline.
What is the SMILES notation for 1,2-dimethyl-5-propan-2-ylindole;3-fluoro-2-methyl-5-propan-2-yl-1H-indole;2-methyl-5-propan-2-yl-1-benzofuran;2-methyl-5-propan-2-yl-1,3-benzothiazole;2-methyl-6-propan-2-yl-1,3-benzothiazole;2-methyl-5-propan-2-yl-1-benzothiophene;2-methyl-6-propan-2-yl-1-benzothiophene;2-methyl-6-propan-2-ylimidazo[1,2-a]pyridine;2-methyl-5-propan-2-yl-1H-indole;3-methyl-5-propan-2-yl-1H-indole;3-methyl-6-propan-2-yl-1H-indole;1-(2-methyl-5-propan-2-ylindol-1-yl)ethanone;2-methyl-7-propan-2-ylnaphthalene;2-methyl-5-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-methyl-7-propan-2-ylquinoline;3-methyl-6-propan-2-ylquinoline;2-methyl-7-propan-2-ylquinoxaline?
The canonical SMILES for 1,2-dimethyl-5-propan-2-ylindole;3-fluoro-2-methyl-5-propan-2-yl-1H-indole;2-methyl-5-propan-2-yl-1-benzofuran;2-methyl-5-propan-2-yl-1,3-benzothiazole;2-methyl-6-propan-2-yl-1,3-benzothiazole;2-methyl-5-propan-2-yl-1-benzothiophene;2-methyl-6-propan-2-yl-1-benzothiophene;2-methyl-6-propan-2-ylimidazo[1,2-a]pyridine;2-methyl-5-propan-2-yl-1H-indole;3-methyl-5-propan-2-yl-1H-indole;3-methyl-6-propan-2-yl-1H-indole;1-(2-methyl-5-propan-2-ylindol-1-yl)ethanone;2-methyl-7-propan-2-ylnaphthalene;2-methyl-5-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-methyl-7-propan-2-ylquinoline;3-methyl-6-propan-2-ylquinoline;2-methyl-7-propan-2-ylquinoxaline is CC(=O)n1c(C)cc2cc(C(C)C)ccc21.Cc1[nH]c2ccc(C(C)C)cc2c1F.Cc1c[nH]c2cc(C(C)C)ccc12.Cc1c[nH]c2ccc(C(C)C)cc12.Cc1cc2cc(C(C)C)ccc2[nH]1.Cc1cc2cc(C(C)C)ccc2n1C.Cc1cc2cc(C(C)C)ccc2o1.Cc1cc2cc(C(C)C)ccc2s1.Cc1cc2cc(C(C)C)ncc2[nH]1.Cc1cc2ccc(C(C)C)cc2s1.Cc1ccc2ccc(C(C)C)cc2c1.Cc1ccc2ccc(C(C)C)cc2n1.Cc1cn2cc(C(C)C)ccc2n1.Cc1cnc2ccc(C(C)C)cc2c1.Cc1cnc2ccc(C(C)C)cc2n1.Cc1nc2cc(C(C)C)ccc2s1.Cc1nc2ccc(C(C)C)cc2s1.
What is the InChIKey of 1,2-dimethyl-5-propan-2-ylindole;3-fluoro-2-methyl-5-propan-2-yl-1H-indole;2-methyl-5-propan-2-yl-1-benzofuran;2-methyl-5-propan-2-yl-1,3-benzothiazole;2-methyl-6-propan-2-yl-1,3-benzothiazole;2-methyl-5-propan-2-yl-1-benzothiophene;2-methyl-6-propan-2-yl-1-benzothiophene;2-methyl-6-propan-2-ylimidazo[1,2-a]pyridine;2-methyl-5-propan-2-yl-1H-indole;3-methyl-5-propan-2-yl-1H-indole;3-methyl-6-propan-2-yl-1H-indole;1-(2-methyl-5-propan-2-ylindol-1-yl)ethanone;2-methyl-7-propan-2-ylnaphthalene;2-methyl-5-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-methyl-7-propan-2-ylquinoline;3-methyl-6-propan-2-ylquinoline;2-methyl-7-propan-2-ylquinoxaline?
The InChIKey is CNMFSCIIMYUUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO.C14H16.C13H17N.2C13H15N.C12H14FN.C12H14N2.3C12H15N.C12H14O.2C12H14S.2C11H14N2.2C11H13NS/c1-9(2)12-5-6-14-13(8-12)7-10(3)15(14)11(4)16;1-10(2)13-7-6-12-5-4-11(3)8-14(12)9-13;1-9(2)11-5-6-13-12(8-11)7-10(3)14(13)4;1-9(2)11-4-5-13-12(7-11)6-10(3)8-14-13;1-9(2)12-7-6-11-5-4-10(3)14-13(11)8-12;1-7(2)9-4-5-11-10(6-9)12(13)8(3)14-11;1-8(2)10-4-5-11-12(6-10)14-9(3)7-13-11;1-8(2)10-4-5-12-11(6-10)9(3)7-13-12;1-8(2)10-4-5-11-9(3)7-13-12(11)6-10;3*1-8(2)10-4-5-12-11(7-10)6-9(3)13-12;1-8(2)10-4-5-11-6-9(3)13-12(11)7-10;1-7(2)10-5-9-4-8(3)13-11(9)6-12-10;1-8(2)10-4-5-11-12-9(3)6-13(11)7-10;1-7(2)9-4-5-11-10(6-9)12-8(3)13-11;1-7(2)9-4-5-10-11(6-9)13-8(3)12-10/h5-9H,1-4H3;4-10H,1-3H3;5-9H,1-4H3;2*4-9H,1-3H3;4-7,14H,1-3H3;4-8H,1-3H3;3*4-8,13H,1-3H3;3*4-8H,1-3H3;4-7,13H,1-3H3;4-8H,1-3H3;2*4-7H,1-3H3.
What are the key properties of 1,2-dimethyl-5-propan-2-ylindole;3-fluoro-2-methyl-5-propan-2-yl-1H-indole;2-methyl-5-propan-2-yl-1-benzofuran;2-methyl-5-propan-2-yl-1,3-benzothiazole;2-methyl-6-propan-2-yl-1,3-benzothiazole;2-methyl-5-propan-2-yl-1-benzothiophene;2-methyl-6-propan-2-yl-1-benzothiophene;2-methyl-6-propan-2-ylimidazo[1,2-a]pyridine;2-methyl-5-propan-2-yl-1H-indole;3-methyl-5-propan-2-yl-1H-indole;3-methyl-6-propan-2-yl-1H-indole;1-(2-methyl-5-propan-2-ylindol-1-yl)ethanone;2-methyl-7-propan-2-ylnaphthalene;2-methyl-5-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-methyl-7-propan-2-ylquinoline;3-methyl-6-propan-2-ylquinoline;2-methyl-7-propan-2-ylquinoxaline?
1,2-dimethyl-5-propan-2-ylindole;3-fluoro-2-methyl-5-propan-2-yl-1H-indole;2-methyl-5-propan-2-yl-1-benzofuran;2-methyl-5-propan-2-yl-1,3-benzothiazole;2-methyl-6-propan-2-yl-1,3-benzothiazole;2-methyl-5-propan-2-yl-1-benzothiophene;2-methyl-6-propan-2-yl-1-benzothiophene;2-methyl-6-propan-2-ylimidazo[1,2-a]pyridine;2-methyl-5-propan-2-yl-1H-indole;3-methyl-5-propan-2-yl-1H-indole;3-methyl-6-propan-2-yl-1H-indole;1-(2-methyl-5-propan-2-ylindol-1-yl)ethanone;2-methyl-7-propan-2-ylnaphthalene;2-methyl-5-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-methyl-7-propan-2-ylquinoline;3-methyl-6-propan-2-ylquinoline;2-methyl-7-propan-2-ylquinoxaline has a molecular weight of 3140.64 g/mol, XLogP of 62.30, 17 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-5-propan-2-ylindole;3-fluoro-2-methyl-5-propan-2-yl-1H-indole;2-methyl-5-propan-2-yl-1-benzofuran;2-methyl-5-propan-2-yl-1,3-benzothiazole;2-methyl-6-propan-2-yl-1,3-benzothiazole;2-methyl-5-propan-2-yl-1-benzothiophene;2-methyl-6-propan-2-yl-1-benzothiophene;2-methyl-6-propan-2-ylimidazo[1,2-a]pyridine;2-methyl-5-propan-2-yl-1H-indole;3-methyl-5-propan-2-yl-1H-indole;3-methyl-6-propan-2-yl-1H-indole;1-(2-methyl-5-propan-2-ylindol-1-yl)ethanone;2-methyl-7-propan-2-ylnaphthalene;2-methyl-5-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-methyl-7-propan-2-ylquinoline;3-methyl-6-propan-2-ylquinoline;2-methyl-7-propan-2-ylquinoxaline is sourced from PubChem (CID 164966365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).