tris(1,2-dimethylimidazole);1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;1,2-dimethylpyrrole;2,5-dimethyltetrazole;1,3-dimethyl-1,2,4-triazole;1,5-dimethyl-1,2,4-triazole;bis(2-methyl-1H-benzimidazole);2-methyl-1-benzofuran;3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;2-methyl-1H-indole;3-methyl-1H-indole;3-methylisoquinoline;1-methylnaphthalene;3-methylpyrazino[2,3-b]pyrazine;2-methylquinazoline;2-methylquinoline;bis(3-methylquinoline);4-methylquinoline;2-methylquinoxaline;2-methylthiophene 1-oxide

C224H240N44O4S4 — CID 159543762

IUPACtris(1,2-dimethylimidazole);1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;1,2-dimethylpyrrole;2,5-dimethyltetrazole;1,3-dimethyl-1,2,4-triazole;1,5-dimethyl-1,2,4-triazole;bis(2-methyl-1H-benzimidazole);2-methyl-1-benzofuran;3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;2-methyl-1H-indole;3-methyl-1H-indole;3-methylisoquinoline;1-methylnaphthalene;3-methylpyrazino[2,3-b]pyrazine;2-methylquinazoline;2-methylquinoline;bis(3-methylquinoline);4-methylquinoline;2-methylquinoxaline;2-methylthiophene 1-oxide
SMILESCC1=CC=CS1=O.Cc1c[nH]c2ccccc12.Cc1cc2ccccc2[nH]1.Cc1cc2ccccc2cn1.Cc1cc2ccccc2o1.Cc1cc2ccccc2s1.Cc1ccc2ccccc2n1.Cc1cccc2ccccc12.Cc1cccn1C.Cc1ccn(C)n1.Cc1ccnc2ccccc12.Cc1ccnn1C.Cc1cnc2ccccc2c1.Cc1cnc2ccccc2c1.Cc1cnc2ccccc2n1.Cc1cnc2nccnc2n1.Cc1cnn(C)c1.Cc1coc2ccccc12.Cc1csc2ccccc12.Cc1nc2ccccc2[nH]1.Cc1nc2ccccc2[nH]1.Cc1nc2ccccc2o1.Cc1nc2ccccc2s1.Cc1ncc2ccccc2n1.Cc1nccn1C.Cc1nccn1C.Cc1nccn1C.Cc1ncn(C)n1.Cc1ncnn1C.Cc1nnn(C)n1
InChIInChI=1S/C11H10.5C10H9N.2C9H8N2.2C9H9N.2C9H8O.2C9H8S.2C8H8N2.C8H7NO.C8H7NS.C7H6N4.C6H9N.6C5H8N2.C5H6OS.2C4H7N3.C3H6N4/c1-9-5-4-7-10-6-2-3-8-11(9)10;1-8-6-9-4-2-3-5-10(9)7-11-8;2*1-8-6-9-4-2-3-5-10(9)11-7-8;1-8-6-7-11-10-5-3-2-4-9(8)10;1-8-6-7-9-4-2-3-5-10(9)11-8;1-7-10-6-8-4-2-3-5-9(8)11-7;1-7-6-10-8-4-2-3-5-9(8)11-7;1-7-6-10-9-5-3-2-4-8(7)9;1-7-6-8-4-2-3-5-9(8)10-7;1-7-6-10-9-5-3-2-4-8(7)9;1-7-6-8-4-2-3-5-9(8)10-7;1-7-6-10-9-5-3-2-4-8(7)9;1-7-6-8-4-2-3-5-9(8)10-7;4*1-6-9-7-4-2-3-5-8(7)10-6;1-5-4-10-6-7(11-5)9-3-2-8-6;1-6-4-3-5-7(6)2;1-5-3-6-7(2)4-5;3*1-5-6-3-4-7(5)2;1-5-3-4-7(2)6-5;1-5-3-4-6-7(5)2;1-5-3-2-4-7(5)6;1-4-5-3-7(2)6-4;1-4-5-3-6-7(4)2;1-3-4-6-7(2)5-3/h2-8H,1H3;5*2-7H,1H3;2*2-6H,1H3;2*2-6,10H,1H3;4*2-6H,1H3;2*2-5H,1H3,(H,9,10);2*2-5H,1H3;2-4H,1H3;3-5H,1-2H3;6*3-4H,1-2H3;2-4H,1H3;2*3H,1-2H3;1-2H3
InChIKeyMENQJUSUAMGWGG-UHFFFAOYSA-N
MW3740.96 g/mol
LogP52.44
Rot. Bonds

About tris(1,2-dimethylimidazole);1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;1,2-dimethylpyrrole;2,5-dimethyltetrazole;1,3-dimethyl-1,2,4-triazole;1,5-dimethyl-1,2,4-triazole;bis(2-methyl-1H-benzimidazole);2-methyl-1-benzofuran;3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;2-methyl-1H-indole;3-methyl-1H-indole;3-methylisoquinoline;1-methylnaphthalene;3-methylpyrazino[2,3-b]pyrazine;2-methylquinazoline;2-methylquinoline;bis(3-methylquinoline);4-methylquinoline;2-methylquinoxaline;2-methylthiophene 1-oxide

tris(1,2-dimethylimidazole);1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;1,2-dimethylpyrrole;2,5-dimethyltetrazole;1,3-dimethyl-1,2,4-triazole;1,5-dimethyl-1,2,4-triazole;bis(2-methyl-1H-benzimidazole);2-methyl-1-benzofuran;3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;2-methyl-1H-indole;3-methyl-1H-indole;3-methylisoquinoline;1-methylnaphthalene;3-methylpyrazino[2,3-b]pyrazine;2-methylquinazoline;2-methylquinoline;bis(3-methylquinoline);4-methylquinoline;2-methylquinoxaline;2-methylthiophene 1-oxide (PubChem CID 159543762) has the molecular formula C224H240N44O4S4 and a molecular weight of 3740.96 g/mol. Its IUPAC name is tris(1,2-dimethylimidazole);1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;1,2-dimethylpyrrole;2,5-dimethyltetrazole;1,3-dimethyl-1,2,4-triazole;1,5-dimethyl-1,2,4-triazole;bis(2-methyl-1H-benzimidazole);2-methyl-1-benzofuran;3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;2-methyl-1H-indole;3-methyl-1H-indole;3-methylisoquinoline;1-methylnaphthalene;3-methylpyrazino[2,3-b]pyrazine;2-methylquinazoline;2-methylquinoline;bis(3-methylquinoline);4-methylquinoline;2-methylquinoxaline;2-methylthiophene 1-oxide.

Molecular Properties

Compound Nametris(1,2-dimethylimidazole);1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;1,2-dimethylpyrrole;2,5-dimethyltetrazole;1,3-dimethyl-1,2,4-triazole;1,5-dimethyl-1,2,4-triazole;bis(2-methyl-1H-benzimidazole);2-methyl-1-benzofuran;3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;2-methyl-1H-indole;3-methyl-1H-indole;3-methylisoquinoline;1-methylnaphthalene;3-methylpyrazino[2,3-b]pyrazine;2-methylquinazoline;2-methylquinoline;bis(3-methylquinoline);4-methylquinoline;2-methylquinoxaline;2-methylthiophene 1-oxide
PubChem CID159543762
Molecular FormulaC224H240N44O4S4
Molecular Weight3740.96 g/mol
Exact Mass3737.88
IUPAC Nametris(1,2-dimethylimidazole);1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;1,2-dimethylpyrrole;2,5-dimethyltetrazole;1,3-dimethyl-1,2,4-triazole;1,5-dimethyl-1,2,4-triazole;bis(2-methyl-1H-benzimidazole);2-methyl-1-benzofuran;3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;2-methyl-1H-indole;3-methyl-1H-indole;3-methylisoquinoline;1-methylnaphthalene;3-methylpyrazino[2,3-b]pyrazine;2-methylquinazoline;2-methylquinoline;bis(3-methylquinoline);4-methylquinoline;2-methylquinoxaline;2-methylthiophene 1-oxide
SMILESCC1=CC=CS1=O.Cc1c[nH]c2ccccc12.Cc1cc2ccccc2[nH]1.Cc1cc2ccccc2cn1.Cc1cc2ccccc2o1.Cc1cc2ccccc2s1.Cc1ccc2ccccc2n1.Cc1cccc2ccccc12.Cc1cccn1C.Cc1ccn(C)n1.Cc1ccnc2ccccc12.Cc1ccnn1C.Cc1cnc2ccccc2c1.Cc1cnc2ccccc2c1.Cc1cnc2ccccc2n1.Cc1cnc2nccnc2n1.Cc1cnn(C)c1.Cc1coc2ccccc12.Cc1csc2ccccc12.Cc1nc2ccccc2[nH]1.Cc1nc2ccccc2[nH]1.Cc1nc2ccccc2o1.Cc1nc2ccccc2s1.Cc1ncc2ccccc2n1.Cc1nccn1C.Cc1nccn1C.Cc1nccn1C.Cc1ncn(C)n1.Cc1ncnn1C.Cc1nnn(C)n1
InChIInChI=1S/C11H10.5C10H9N.2C9H8N2.2C9H9N.2C9H8O.2C9H8S.2C8H8N2.C8H7NO.C8H7NS.C7H6N4.C6H9N.6C5H8N2.C5H6OS.2C4H7N3.C3H6N4/c1-9-5-4-7-10-6-2-3-8-11(9)10;1-8-6-9-4-2-3-5-10(9)7-11-8;2*1-8-6-9-4-2-3-5-10(9)11-7-8;1-8-6-7-11-10-5-3-2-4-9(8)10;1-8-6-7-9-4-2-3-5-10(9)11-8;1-7-10-6-8-4-2-3-5-9(8)11-7;1-7-6-10-8-4-2-3-5-9(8)11-7;1-7-6-10-9-5-3-2-4-8(7)9;1-7-6-8-4-2-3-5-9(8)10-7;1-7-6-10-9-5-3-2-4-8(7)9;1-7-6-8-4-2-3-5-9(8)10-7;1-7-6-10-9-5-3-2-4-8(7)9;1-7-6-8-4-2-3-5-9(8)10-7;4*1-6-9-7-4-2-3-5-8(7)10-6;1-5-4-10-6-7(11-5)9-3-2-8-6;1-6-4-3-5-7(6)2;1-5-3-6-7(2)4-5;3*1-5-6-3-4-7(5)2;1-5-3-4-7(2)6-5;1-5-3-4-6-7(5)2;1-5-3-2-4-7(5)6;1-4-5-3-7(2)6-4;1-4-5-3-6-7(4)2;1-3-4-6-7(2)5-3/h2-8H,1H3;5*2-7H,1H3;2*2-6H,1H3;2*2-6,10H,1H3;4*2-6H,1H3;2*2-5H,1H3,(H,9,10);2*2-5H,1H3;2-4H,1H3;3-5H,1-2H3;6*3-4H,1-2H3;2-4H,1H3;2*3H,1-2H3;1-2H3
InChIKeyMENQJUSUAMGWGG-UHFFFAOYSA-N
XLogP52.44
TPSA555.65 Ų
H-Bond Donors4
H-Bond Acceptors47
Rotatable Bonds
Heavy Atoms276
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003740.96
LogP ≤ 552.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1047

Analyze tris(1,2-dimethylimidazole);1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;1,2-dimethylpyrrole;2,5-dimethyltetrazole;1,3-dimethyl-1,2,4-triazole;1,5-dimethyl-1,2,4-triazole;bis(2-methyl-1H-benzimidazole);2-methyl-1-benzofuran;3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;2-methyl-1H-indole;3-methyl-1H-indole;3-methylisoquinoline;1-methylnaphthalene;3-methylpyrazino[2,3-b]pyrazine;2-methylquinazoline;2-methylquinoline;bis(3-methylquinoline);4-methylquinoline;2-methylquinoxaline;2-methylthiophene 1-oxide with MolForge

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Related Compounds

benzene;1,3-benzodioxole;1,3-benzothiazole;1-benzothiophene;1,2,4-benzotriazine;cinnoline;cyclopenta-1,3-diene;2,2-difluoro-1,3-benzodioxole;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1-benzofuran;ethane;furan;bis(1H-indole);1-methoxy-4-methylbenzene;1-methylimidazole;1-methylindole;bis(1-methylpiperidine);5-methylpyrimidine;morpholine;oxane;1,3-oxazole;[1,3]oxazolo[4,5-c]pyridine;phenol;phenylmethanol;piperidine;pyridine;pyrimidine;quinazoline;quinoline;quinoxaline;thiane;1,3-thiazole;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-c]pyridine;thiophene;1,2,4-triazine;1,3,5-triazine
CID 157327103
2,4-dimethylfuro[3,2-c]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,4-dimethylindole;2,4-dimethyl-1,3-oxazole;2,4-dimethyl-1H-pyrrolo[3,2-c]pyridine;1-methylbenzotriazole;4-methylfuro[3,2-c]pyridine;7-methylfuro[2,3-c]pyridine;2-methyl-1H-imidazole;4-methyl-1H-indazole;1-methylisoquinoline;2-methyl-3-prop-1-enylpyridine;4-methylthieno[2,3-d]pyrimidine;4-methyl-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 157451853
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
benzene;1,3-benzodioxole;tris(1-benzothiophene);bis(cyclopenta-1,3-diene);2,2-difluoro-1,3-benzodioxole;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1-benzofuran;ethane;furan;bis(1H-indole);methane;1-methylimidazole;1-methylindole;oxane;1,3-oxazole;[1,3]oxazolo[4,5-c]pyridine;phenol;phenylmethanol;bis(piperidine);pyridine;pyrimidine;quinazoline;quinoline;quinoxaline;thiane;1,3-thiazole;[1,3]thiazolo[5,4-b]pyridine;thieno[3,2-c]pyridine;1,2,4-triazine;1,3,5-triazine
CID 157505301
benzene;1,3-benzodioxole;1,3-benzothiazole;1-benzothiophene;1,2,4-benzotriazine;cinnoline;cyclopenta-1,3-diene;dibenzofuran;dibenzothiophene;2,2-difluoro-1,3-benzodioxole;2,3-dihydro-1,4-benzodioxine;ethane;9H-fluorene;furan;bis(1H-indole);1-methylimidazole;1-methylindole;morpholine;oxane;1,3-oxazole;[1,3]oxazolo[4,5-c]pyridine;phenol;phenylmethanol;piperidine;pyridine;pyrimidine;quinazoline;quinoline;thiane;1,3-thiazole;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-c]pyridine;thiophene;triazine;1,3,5-triazine
CID 157518381
benzene-1,2-dicarbonitrile;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;1,2-bis(trifluoromethyl)benzene;5H-cyclopenta[c]pyridine;3H-indazole;isoindole-1,3-dione;4H-naphthalen-1-one;1,5-naphthyridine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;2-phenyl-1,3-benzoxazole;pyrido[3,4-b]pyrazine;pyrido[2,3-d]pyridazine;quinazoline;1,2,3-tris(trifluoromethyl)benzene
CID 157751392
Dialuminum;trigallium;[2-(1,3-benzothiazol-2-yl)phenyl]-methylsulfonylazanide;[2-(1,3-benzoxazol-2-yl)phenyl]-pyrazin-2-ylazanide;7-(3-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-(4-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;2-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-olate
CID 157760113
6-fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine;6-fluoro-N-[2-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine;N-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]-1,3-benzothiazol-2-amine;1-methyl-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]benzimidazole;N-[2-(4-naphthalen-2-ylpiperazin-1-yl)ethyl]-1,3-benzothiazol-2-amine;N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-benzoxazol-2-amine
CID 157832980
benzene-1,2-dicarbonitrile;benzenesulfinate;benzonitrile;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;1,2-bis(trifluoromethyl)benzene;5H-cyclopenta[c]pyridine;1,1-difluoroethane;bis(1,1-difluoroethylbenzene);1-(1,1-difluoroethyl)-2,3-bis(trifluoromethyl)benzene;3H-indazole;indene-1,3-dione;naphthalene;4H-naphthalen-1-one;1,5-naphthyridine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;2-phenyl-1,3-benzoxazole;pyridazine;pyridine;pyrido[3,4-b]pyrazine;pyrido[2,3-d]pyridazine;pyrimidine;quinazoline;quinoline;styrene;sulfur dioxide;1,3,5-triazine;1,2,3-trifluorobenzene
CID 157944307
1H-benzimidazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,3-benzothiazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,3-benzoxazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-imidazo[4,5-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-piperidin-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-pyrrol-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 158306259
benzaldehyde;benzonitrile;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;2-(1,1-difluoroethyl)-1,3-bis(trifluoromethyl)benzene;3H-indole;4-methylidenecyclopent-2-en-1-one;4H-naphthalen-1-one;1,6-naphthyridine;phenanthridine;1H-phenanthro[9,10-d]imidazole;1,10-phenanthroline;2-phenyl-1,3-benzoxazole;2-pyridin-2-ylpyridine;quinoline
CID 158538440
benzene;1,3-benzodioxole;1,3-benzothiazole;1-benzothiophene;1,2,4-benzotriazine;cinnoline;cyclopenta-1,3-diene;dibenzofuran;2,2-difluoro-1,3-benzodioxole;2,3-dihydro-1,4-benzodioxine;ethane;9H-fluorene;furan;bis(1H-indole);1-methylimidazole;1-methylindole;morpholine;oxane;bis(1,3-oxazole);[1,3]oxazolo[4,5-c]pyridine;phenol;phenylmethanol;piperidine;pyridine;pyrimidine;quinazoline;quinoline;thiane;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-c]pyridine;thiophene;1,2,4-triazine;1,3,5-triazine
CID 158627228

Frequently Asked Questions

What is the IUPAC name of tris(1,2-dimethylimidazole);1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;1,2-dimethylpyrrole;2,5-dimethyltetrazole;1,3-dimethyl-1,2,4-triazole;1,5-dimethyl-1,2,4-triazole;bis(2-methyl-1H-benzimidazole);2-methyl-1-benzofuran;3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;2-methyl-1H-indole;3-methyl-1H-indole;3-methylisoquinoline;1-methylnaphthalene;3-methylpyrazino[2,3-b]pyrazine;2-methylquinazoline;2-methylquinoline;bis(3-methylquinoline);4-methylquinoline;2-methylquinoxaline;2-methylthiophene 1-oxide?
The IUPAC name of tris(1,2-dimethylimidazole);1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;1,2-dimethylpyrrole;2,5-dimethyltetrazole;1,3-dimethyl-1,2,4-triazole;1,5-dimethyl-1,2,4-triazole;bis(2-methyl-1H-benzimidazole);2-methyl-1-benzofuran;3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;2-methyl-1H-indole;3-methyl-1H-indole;3-methylisoquinoline;1-methylnaphthalene;3-methylpyrazino[2,3-b]pyrazine;2-methylquinazoline;2-methylquinoline;bis(3-methylquinoline);4-methylquinoline;2-methylquinoxaline;2-methylthiophene 1-oxide (CID 159543762) is tris(1,2-dimethylimidazole);1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;1,2-dimethylpyrrole;2,5-dimethyltetrazole;1,3-dimethyl-1,2,4-triazole;1,5-dimethyl-1,2,4-triazole;bis(2-methyl-1H-benzimidazole);2-methyl-1-benzofuran;3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;2-methyl-1H-indole;3-methyl-1H-indole;3-methylisoquinoline;1-methylnaphthalene;3-methylpyrazino[2,3-b]pyrazine;2-methylquinazoline;2-methylquinoline;bis(3-methylquinoline);4-methylquinoline;2-methylquinoxaline;2-methylthiophene 1-oxide.
What is the SMILES notation for tris(1,2-dimethylimidazole);1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;1,2-dimethylpyrrole;2,5-dimethyltetrazole;1,3-dimethyl-1,2,4-triazole;1,5-dimethyl-1,2,4-triazole;bis(2-methyl-1H-benzimidazole);2-methyl-1-benzofuran;3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;2-methyl-1H-indole;3-methyl-1H-indole;3-methylisoquinoline;1-methylnaphthalene;3-methylpyrazino[2,3-b]pyrazine;2-methylquinazoline;2-methylquinoline;bis(3-methylquinoline);4-methylquinoline;2-methylquinoxaline;2-methylthiophene 1-oxide?
The canonical SMILES for tris(1,2-dimethylimidazole);1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;1,2-dimethylpyrrole;2,5-dimethyltetrazole;1,3-dimethyl-1,2,4-triazole;1,5-dimethyl-1,2,4-triazole;bis(2-methyl-1H-benzimidazole);2-methyl-1-benzofuran;3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;2-methyl-1H-indole;3-methyl-1H-indole;3-methylisoquinoline;1-methylnaphthalene;3-methylpyrazino[2,3-b]pyrazine;2-methylquinazoline;2-methylquinoline;bis(3-methylquinoline);4-methylquinoline;2-methylquinoxaline;2-methylthiophene 1-oxide is CC1=CC=CS1=O.Cc1c[nH]c2ccccc12.Cc1cc2ccccc2[nH]1.Cc1cc2ccccc2cn1.Cc1cc2ccccc2o1.Cc1cc2ccccc2s1.Cc1ccc2ccccc2n1.Cc1cccc2ccccc12.Cc1cccn1C.Cc1ccn(C)n1.Cc1ccnc2ccccc12.Cc1ccnn1C.Cc1cnc2ccccc2c1.Cc1cnc2ccccc2c1.Cc1cnc2ccccc2n1.Cc1cnc2nccnc2n1.Cc1cnn(C)c1.Cc1coc2ccccc12.Cc1csc2ccccc12.Cc1nc2ccccc2[nH]1.Cc1nc2ccccc2[nH]1.Cc1nc2ccccc2o1.Cc1nc2ccccc2s1.Cc1ncc2ccccc2n1.Cc1nccn1C.Cc1nccn1C.Cc1nccn1C.Cc1ncn(C)n1.Cc1ncnn1C.Cc1nnn(C)n1.
What is the InChIKey of tris(1,2-dimethylimidazole);1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;1,2-dimethylpyrrole;2,5-dimethyltetrazole;1,3-dimethyl-1,2,4-triazole;1,5-dimethyl-1,2,4-triazole;bis(2-methyl-1H-benzimidazole);2-methyl-1-benzofuran;3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;2-methyl-1H-indole;3-methyl-1H-indole;3-methylisoquinoline;1-methylnaphthalene;3-methylpyrazino[2,3-b]pyrazine;2-methylquinazoline;2-methylquinoline;bis(3-methylquinoline);4-methylquinoline;2-methylquinoxaline;2-methylthiophene 1-oxide?
The InChIKey is MENQJUSUAMGWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10.5C10H9N.2C9H8N2.2C9H9N.2C9H8O.2C9H8S.2C8H8N2.C8H7NO.C8H7NS.C7H6N4.C6H9N.6C5H8N2.C5H6OS.2C4H7N3.C3H6N4/c1-9-5-4-7-10-6-2-3-8-11(9)10;1-8-6-9-4-2-3-5-10(9)7-11-8;2*1-8-6-9-4-2-3-5-10(9)11-7-8;1-8-6-7-11-10-5-3-2-4-9(8)10;1-8-6-7-9-4-2-3-5-10(9)11-8;1-7-10-6-8-4-2-3-5-9(8)11-7;1-7-6-10-8-4-2-3-5-9(8)11-7;1-7-6-10-9-5-3-2-4-8(7)9;1-7-6-8-4-2-3-5-9(8)10-7;1-7-6-10-9-5-3-2-4-8(7)9;1-7-6-8-4-2-3-5-9(8)10-7;1-7-6-10-9-5-3-2-4-8(7)9;1-7-6-8-4-2-3-5-9(8)10-7;4*1-6-9-7-4-2-3-5-8(7)10-6;1-5-4-10-6-7(11-5)9-3-2-8-6;1-6-4-3-5-7(6)2;1-5-3-6-7(2)4-5;3*1-5-6-3-4-7(5)2;1-5-3-4-7(2)6-5;1-5-3-4-6-7(5)2;1-5-3-2-4-7(5)6;1-4-5-3-7(2)6-4;1-4-5-3-6-7(4)2;1-3-4-6-7(2)5-3/h2-8H,1H3;5*2-7H,1H3;2*2-6H,1H3;2*2-6,10H,1H3;4*2-6H,1H3;2*2-5H,1H3,(H,9,10);2*2-5H,1H3;2-4H,1H3;3-5H,1-2H3;6*3-4H,1-2H3;2-4H,1H3;2*3H,1-2H3;1-2H3.
What are the key properties of tris(1,2-dimethylimidazole);1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;1,2-dimethylpyrrole;2,5-dimethyltetrazole;1,3-dimethyl-1,2,4-triazole;1,5-dimethyl-1,2,4-triazole;bis(2-methyl-1H-benzimidazole);2-methyl-1-benzofuran;3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;2-methyl-1H-indole;3-methyl-1H-indole;3-methylisoquinoline;1-methylnaphthalene;3-methylpyrazino[2,3-b]pyrazine;2-methylquinazoline;2-methylquinoline;bis(3-methylquinoline);4-methylquinoline;2-methylquinoxaline;2-methylthiophene 1-oxide?
tris(1,2-dimethylimidazole);1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;1,2-dimethylpyrrole;2,5-dimethyltetrazole;1,3-dimethyl-1,2,4-triazole;1,5-dimethyl-1,2,4-triazole;bis(2-methyl-1H-benzimidazole);2-methyl-1-benzofuran;3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;2-methyl-1H-indole;3-methyl-1H-indole;3-methylisoquinoline;1-methylnaphthalene;3-methylpyrazino[2,3-b]pyrazine;2-methylquinazoline;2-methylquinoline;bis(3-methylquinoline);4-methylquinoline;2-methylquinoxaline;2-methylthiophene 1-oxide has a molecular weight of 3740.96 g/mol, XLogP of 52.44, 0 rotatable bonds, 4 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1,2-dimethylimidazole);1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;1,2-dimethylpyrrole;2,5-dimethyltetrazole;1,3-dimethyl-1,2,4-triazole;1,5-dimethyl-1,2,4-triazole;bis(2-methyl-1H-benzimidazole);2-methyl-1-benzofuran;3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;2-methyl-1H-indole;3-methyl-1H-indole;3-methylisoquinoline;1-methylnaphthalene;3-methylpyrazino[2,3-b]pyrazine;2-methylquinazoline;2-methylquinoline;bis(3-methylquinoline);4-methylquinoline;2-methylquinoxaline;2-methylthiophene 1-oxide is sourced from PubChem (CID 159543762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).