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

C167H178F2N26O6S2 — CID 157425506

IUPAC2,2-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
SMILESC.C.CCc1cc2ccc(C)cc2o1.Cc1ccc2[nH]c(C)cc2c1.Cc1ccc2[nH]ccc2c1.Cc1ccc2c(N)noc2c1.Cc1ccc2c(c1)CNC2.Cc1ccc2c(c1)OC(F)(F)O2.Cc1ccc2c(c1)cc(C)n2C.Cc1ccc2cc(C)[nH]c2c1.Cc1ccc2cc(C)oc2c1.Cc1ccc2nc(-c3ccccn3)[nH]c2c1.Cc1ccc2nc(C)[nH]c2c1.Cc1ccc2nc(N)[nH]c2c1.Cc1ccc2nc(N)cn2c1.Cc1ccc2nc(N)sc2c1.Cc1ccc2nc[nH]c2c1.Cc1ccc2onc(N)c2c1.Cc1ccc2scnc2c1.Cc1cccc2cc[nH]c12
InChIInChI=1S/C13H11N3.C11H13N.C11H12O.2C10H11N.C10H10O.C9H10N2.C9H11N.2C9H9N.C8H6F2O2.2C8H9N3.2C8H8N2O.C8H8N2S.C8H8N2.C8H7NS.2CH4/c1-9-5-6-10-12(8-9)16-13(15-10)11-4-2-3-7-14-11;1-8-4-5-11-10(6-8)7-9(2)12(11)3;1-3-10-7-9-5-4-8(2)6-11(9)12-10;1-7-3-4-10-9(5-7)6-8(2)11-10;2*1-7-3-4-9-6-8(2)11-10(9)5-7;1-6-3-4-8-9(5-6)11-7(2)10-8;1-7-2-3-8-5-10-6-9(8)4-7;1-7-2-3-9-8(6-7)4-5-10-9;1-7-3-2-4-8-5-6-10-9(7)8;1-5-2-3-6-7(4-5)12-8(9,10)11-6;1-6-2-3-8-10-7(9)5-11(8)4-6;1-5-2-3-6-7(4-5)11-8(9)10-6;1-5-2-3-7-6(4-5)8(9)10-11-7;1-5-2-3-6-7(4-5)11-10-8(6)9;1-5-2-3-6-7(4-5)11-8(9)10-6;1-6-2-3-7-8(4-6)10-5-9-7;1-6-2-3-8-7(4-6)9-5-10-8;;/h2-8H,1H3,(H,15,16);4-7H,1-3H3;4-7H,3H2,1-2H3;2*3-6,11H,1-2H3;3-6H,1-2H3;3-5H,1-2H3,(H,10,11);2-4,10H,5-6H2,1H3;2*2-6,10H,1H3;2-4H,1H3;2-5H,9H2,1H3;2-4H,1H3,(H3,9,10,11);3*2-4H,1H3,(H2,9,10);2-5H,1H3,(H,9,10);2-5H,1H3;2*1H4
InChIKeyBPXICOPPHUOCSP-UHFFFAOYSA-N
MW2747.57 g/mol
LogP42.75
Rot. Bonds2

About 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

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 (PubChem CID 157425506) has the molecular formula C167H178F2N26O6S2 and a molecular weight of 2747.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,2-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
PubChem CID157425506
Molecular FormulaC167H178F2N26O6S2
Molecular Weight2747.57 g/mol
Exact Mass2745.38
IUPAC Name2,2-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
SMILESC.C.CCc1cc2ccc(C)cc2o1.Cc1ccc2[nH]c(C)cc2c1.Cc1ccc2[nH]ccc2c1.Cc1ccc2c(N)noc2c1.Cc1ccc2c(c1)CNC2.Cc1ccc2c(c1)OC(F)(F)O2.Cc1ccc2c(c1)cc(C)n2C.Cc1ccc2cc(C)[nH]c2c1.Cc1ccc2cc(C)oc2c1.Cc1ccc2nc(-c3ccccn3)[nH]c2c1.Cc1ccc2nc(C)[nH]c2c1.Cc1ccc2nc(N)[nH]c2c1.Cc1ccc2nc(N)cn2c1.Cc1ccc2nc(N)sc2c1.Cc1ccc2nc[nH]c2c1.Cc1ccc2onc(N)c2c1.Cc1ccc2scnc2c1.Cc1cccc2cc[nH]c12
InChIInChI=1S/C13H11N3.C11H13N.C11H12O.2C10H11N.C10H10O.C9H10N2.C9H11N.2C9H9N.C8H6F2O2.2C8H9N3.2C8H8N2O.C8H8N2S.C8H8N2.C8H7NS.2CH4/c1-9-5-6-10-12(8-9)16-13(15-10)11-4-2-3-7-14-11;1-8-4-5-11-10(6-8)7-9(2)12(11)3;1-3-10-7-9-5-4-8(2)6-11(9)12-10;1-7-3-4-10-9(5-7)6-8(2)11-10;2*1-7-3-4-9-6-8(2)11-10(9)5-7;1-6-3-4-8-9(5-6)11-7(2)10-8;1-7-2-3-8-5-10-6-9(8)4-7;1-7-2-3-9-8(6-7)4-5-10-9;1-7-3-2-4-8-5-6-10-9(7)8;1-5-2-3-6-7(4-5)12-8(9,10)11-6;1-6-2-3-8-10-7(9)5-11(8)4-6;1-5-2-3-6-7(4-5)11-8(9)10-6;1-5-2-3-7-6(4-5)8(9)10-11-7;1-5-2-3-6-7(4-5)11-10-8(6)9;1-5-2-3-6-7(4-5)11-8(9)10-6;1-6-2-3-7-8(4-6)10-5-9-7;1-6-2-3-8-7(4-6)9-5-10-8;;/h2-8H,1H3,(H,15,16);4-7H,1-3H3;4-7H,3H2,1-2H3;2*3-6,11H,1-2H3;3-6H,1-2H3;3-5H,1-2H3,(H,10,11);2-4,10H,5-6H2,1H3;2*2-6,10H,1H3;2-4H,1H3;2-5H,9H2,1H3;2-4H,1H3,(H3,9,10,11);3*2-4H,1H3,(H2,9,10);2-5H,1H3,(H,9,10);2-5H,1H3;2*1H4
InChIKeyBPXICOPPHUOCSP-UHFFFAOYSA-N
XLogP42.75
TPSA477.71 Ų
H-Bond Donors14
H-Bond Acceptors26
Rotatable Bonds2
Heavy Atoms203
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002747.57
LogP ≤ 542.75
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1026

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

5-tert-butyl-3a,7a-dihydro-3H-pyrrolo[3,2-b]pyridin-2-amine;6-tert-butyl-1,3-benzothiazol-2-amine;5-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,2-benzoxazol-3-amine;6-tert-butyl-1,2-benzoxazol-3-amine;5-tert-butyl-2,2-difluoro-1,3-benzodioxole;2-tert-butyl-1,3-dihydroisoindol-5-amine;5-tert-butyl-2,3-dihydro-1H-isoindole;5-tert-butyl-2-ethyl-1-benzofuran;7-tert-butyl-1H-indole;6-tert-butylisoquinolin-1-amine;7-tert-butylisoquinolin-1-amine;5-tert-butyl-2-methyl-1-benzofuran;6-tert-butyl-2-methyl-1H-indole;7-tert-butyl-N-methylisoquinolin-1-amine;7-tert-butylquinolin-4-amine
CID 157536583
4-tert-butyl-1,3-benzodioxole;5-tert-butyl-1,3-benzodioxole;4-tert-butyl-1-benzofuran;5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;7-tert-butyl-1-benzofuran;4-tert-butyl-1,3-benzothiazole;4-tert-butyl-2,1,3-benzoxadiazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;7-tert-butyl-5-fluoro-1-benzofuran;7-tert-butyl-1H-indole;2-tert-butyl-5-methylfuran;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butyl-5-(trifluoromethyl)furan;4-tert-butyl-2-(trifluoromethyl)thiophene;ethane
CID 157860503
6-tert-butyl-3,8a-dihydroimidazo[1,2-a]pyridin-2-amine;6-tert-butyl-1,3-benzothiazol-2-amine;5-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,2-benzoxazol-3-amine;6-tert-butyl-1,2-benzoxazol-3-amine;6-tert-butyl-2,2-difluoro-3H-1-benzofuran;2-tert-butyl-1,3-dihydroisoindol-5-amine;5-tert-butyl-2,3-dihydro-1H-isoindole;5-tert-butyl-2-ethyl-1-benzofuran;7-tert-butyl-1H-indole;6-tert-butylisoquinolin-1-amine;7-tert-butylisoquinolin-1-amine;5-tert-butyl-2-methyl-1-benzofuran;6-tert-butyl-2-methyl-1H-indole
CID 158714120
1-butoxy-4-tert-butylbenzene;2-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;2-tert-butyl-1-benzofuran;2-tert-butyl-1-benzothiophene;6-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-4-ethenylbenzene;1-tert-butyl-4-ethoxybenzene;bis(1-tert-butyl-4-ethylsulfanylbenzene);2-tert-butyl-1H-indole;1-tert-butyl-4-methoxybenzene;2-tert-butyl-6-methoxynaphthalene;2-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;1-tert-butyl-4-(2-methylpropyl)benzene;1-tert-butyl-4-methylsulfanylbenzene;2-tert-butylnaphthalene;2-tert-butyl-3-propan-2-yl-1H-indole;1-tert-butyl-4-propan-2-ylsulfanylbenzene;3-tert-butylquinoline;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethyl)benzene;2-tert-butyl-6-(trifluoromethyl)-1H-benzimidazole;2,6-ditert-butyl-1H-benzimidazole;methyl 4-tert-butylbenzoate
CID 160943749
4-tert-butyl-1,3-benzodioxole;5-tert-butyl-1,3-benzodioxole;4-tert-butyl-1-benzofuran;5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;7-tert-butyl-1-benzofuran;4-tert-butyl-1,3-benzothiazole;4-tert-butyl-2,1,3-benzoxadiazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;7-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-5-fluoro-1-benzofuran;7-tert-butyl-1H-indole;2-tert-butyl-5-methylfuran;2-tert-butyl-1-methylindole;3-tert-butyl-1-methylindole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;7-tert-butyl-1-methylindole;2-tert-butyl-5-(trifluoromethyl)furan;4-tert-butyl-2-(trifluoromethyl)thiophene
CID 161280042
2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;1,4-di(propan-2-yl)benzene;4,7-di(propan-2-yl)-1H-benzimidazole;4,7-di(propan-2-yl)-2H-benzimidazole;4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-2,1,3-benzothiadiazole;bis(4,7-di(propan-2-yl)-1,3-benzothiazole);4,7-di(propan-2-yl)-2,1,3-benzoxadiazole;bis(4,7-di(propan-2-yl)-1,3-benzoxazole);bis(4,7-di(propan-2-yl)-2,1-benzoxazole);4,7-di(propan-2-yl)-2,3-dihydro-1H-indene;1,4-di(propan-2-yl)naphthalene;bis(2,5-di(propan-2-yl)pyridine);bis(3,6-di(propan-2-yl)-1H-pyridin-2-one)
CID 161320233
1-butoxy-4-tert-butylbenzene;2-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;2-tert-butyl-1-benzofuran;2-tert-butyl-1-benzothiophene;6-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-4-ethoxybenzene;2-tert-butyl-1H-indole;1-tert-butyl-4-methoxybenzene;2-tert-butyl-6-methoxynaphthalene;2-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;1-tert-butyl-4-(2-methylpropyl)benzene;2-tert-butylnaphthalene;2-tert-butyl-3-propan-2-yl-1H-indole;3-tert-butylquinoline;2-tert-butyl-6-(trifluoromethyl)-1H-benzimidazole;2,6-ditert-butyl-1H-benzimidazole
CID 162206945
2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;2,5-dimethylhex-3-ene;1,4-di(propan-2-yl)benzene;4,7-di(propan-2-yl)-1H-benzimidazole;4,7-di(propan-2-yl)-2H-benzimidazole;4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-2,1,3-benzothiadiazole;bis(4,7-di(propan-2-yl)-1,3-benzothiazole);4,7-di(propan-2-yl)-2,1,3-benzoxadiazole;bis(4,7-di(propan-2-yl)-1,3-benzoxazole);bis(4,7-di(propan-2-yl)-2,1-benzoxazole);4,7-di(propan-2-yl)-2,3-dihydro-1H-indene;1,4-di(propan-2-yl)naphthalene;bis(2,5-di(propan-2-yl)pyridine);bis(3,6-di(propan-2-yl)-1H-pyridin-2-one);methane
CID 162271253
4-tert-butyl-1,3-benzodioxole;5-tert-butyl-1,3-benzodioxole;4-tert-butyl-1-benzofuran;5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;7-tert-butyl-1-benzofuran;4-tert-butyl-1,3-benzothiazole;4-tert-butyl-2,1,3-benzoxadiazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;7-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-5-fluoro-2,3-dihydro-1-benzofuran;7-tert-butyl-1H-indole;2-tert-butyl-5-methylfuran;2-tert-butyl-1-methylindole;3-tert-butyl-1-methylindole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;7-tert-butyl-1-methylindole;2-tert-butyl-5-(trifluoromethyl)furan;4-tert-butyl-2-(trifluoromethyl)thiophene
CID 167579964
4-tert-butyl-1,3-benzodioxole;5-tert-butyl-1,3-benzodioxole;4-tert-butyl-1-benzofuran;5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;7-tert-butyl-1-benzofuran;4-tert-butyl-1,3-benzothiazole;4-tert-butyl-2,1,3-benzoxadiazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;7-tert-butyl-5-fluoro-1-benzofuran;7-tert-butyl-1H-indole;2-tert-butyl-5-methylfuran;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butyl-5-(trifluoromethyl)furan;4-tert-butyl-2-(trifluoromethyl)thiophene;ethane;methane
CID 167593988
6-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;3-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butyl-1H-indene;4-tert-butyl-1H-indole;6-tert-butyl-1H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-2-methyl-1H-benzimidazole;6-tert-butyl-1-methylbenzotriazole;5-tert-butyl-2-methyl-1H-indene;5-tert-butyl-1-methylindole;4-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-1-oxidopyridin-1-ium;5-tert-butylquinoline;2,4-ditert-butyl-6-fluoropyridine
CID 157058602
bis(6-propan-2-yl-1H-benzimidazole);5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2,1,3-benzoxadiazole;2-propan-2-ylfuran;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;1-(3-propan-2-ylphenyl)imidazole;1-(3-propan-2-ylphenyl)pyrazole;3-(3-propan-2-ylphenyl)pyridine;1-(3-propan-2-ylphenyl)tetrazole;1-(3-propan-2-ylphenyl)-1,2,4-triazole;4-(3-propan-2-ylphenyl)-1,2,4-triazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;6-propan-2-yl-1H-pyridin-2-one
CID 157550298

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.C.CCc1cc2ccc(C)cc2o1.Cc1ccc2[nH]c(C)cc2c1.Cc1ccc2[nH]ccc2c1.Cc1ccc2c(N)noc2c1.Cc1ccc2c(c1)CNC2.Cc1ccc2c(c1)OC(F)(F)O2.Cc1ccc2c(c1)cc(C)n2C.Cc1ccc2cc(C)[nH]c2c1.Cc1ccc2cc(C)oc2c1.Cc1ccc2nc(-c3ccccn3)[nH]c2c1.Cc1ccc2nc(C)[nH]c2c1.Cc1ccc2nc(N)[nH]c2c1.Cc1ccc2nc(N)cn2c1.Cc1ccc2nc(N)sc2c1.Cc1ccc2nc[nH]c2c1.Cc1ccc2onc(N)c2c1.Cc1ccc2scnc2c1.Cc1cccc2cc[nH]c12.
What is the InChIKey of 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?
The InChIKey is BPXICOPPHUOCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3.C11H13N.C11H12O.2C10H11N.C10H10O.C9H10N2.C9H11N.2C9H9N.C8H6F2O2.2C8H9N3.2C8H8N2O.C8H8N2S.C8H8N2.C8H7NS.2CH4/c1-9-5-6-10-12(8-9)16-13(15-10)11-4-2-3-7-14-11;1-8-4-5-11-10(6-8)7-9(2)12(11)3;1-3-10-7-9-5-4-8(2)6-11(9)12-10;1-7-3-4-10-9(5-7)6-8(2)11-10;2*1-7-3-4-9-6-8(2)11-10(9)5-7;1-6-3-4-8-9(5-6)11-7(2)10-8;1-7-2-3-8-5-10-6-9(8)4-7;1-7-2-3-9-8(6-7)4-5-10-9;1-7-3-2-4-8-5-6-10-9(7)8;1-5-2-3-6-7(4-5)12-8(9,10)11-6;1-6-2-3-8-10-7(9)5-11(8)4-6;1-5-2-3-6-7(4-5)11-8(9)10-6;1-5-2-3-7-6(4-5)8(9)10-11-7;1-5-2-3-6-7(4-5)11-10-8(6)9;1-5-2-3-6-7(4-5)11-8(9)10-6;1-6-2-3-7-8(4-6)10-5-9-7;1-6-2-3-8-7(4-6)9-5-10-8;;/h2-8H,1H3,(H,15,16);4-7H,1-3H3;4-7H,3H2,1-2H3;2*3-6,11H,1-2H3;3-6H,1-2H3;3-5H,1-2H3,(H,10,11);2-4,10H,5-6H2,1H3;2*2-6,10H,1H3;2-4H,1H3;2-5H,9H2,1H3;2-4H,1H3,(H3,9,10,11);3*2-4H,1H3,(H2,9,10);2-5H,1H3,(H,9,10);2-5H,1H3;2*1H4.
What are the key properties of 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?
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 has a molecular weight of 2747.57 g/mol, XLogP of 42.75, 2 rotatable bonds, 14 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157425506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).