1,2-dimethylbenzimidazole;5-methyl-1,2,3-benzothiadiazole;4-methyl-2H-benzotriazole;5-methyl-2H-benzotriazole;3-methylimidazo[1,2-a]pyridine;3-methyl-1H-indole;3-methyl-1H-indol-5-ol;5-methyl-2-phenyl-1H-imidazole;5-methyl-4-phenyl-1H-imidazole;4-methyl-1-phenylpyrazole;2-methylpteridine;4-methylpteridine;2-methyl-7H-purine;6-methyl-7H-purine;8-methyl-7H-purine;3-methylpyrazolo[1,5-a]pyridine;3-methylpyrido[2,3-b]pyrazine;3-methyl-1H-pyrrolo[2,3-b]pyridine;7-methyl-[1,3]thiazolo[5,4-d]pyrimidine;3-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine;1,2,3-trimethylindole

C167H165N55OS2 — CID 158799825

IUPAC1,2-dimethylbenzimidazole;5-methyl-1,2,3-benzothiadiazole;4-methyl-2H-benzotriazole;5-methyl-2H-benzotriazole;3-methylimidazo[1,2-a]pyridine;3-methyl-1H-indole;3-methyl-1H-indol-5-ol;5-methyl-2-phenyl-1H-imidazole;5-methyl-4-phenyl-1H-imidazole;4-methyl-1-phenylpyrazole;2-methylpteridine;4-methylpteridine;2-methyl-7H-purine;6-methyl-7H-purine;8-methyl-7H-purine;3-methylpyrazolo[1,5-a]pyridine;3-methylpyrido[2,3-b]pyrazine;3-methyl-1H-pyrrolo[2,3-b]pyridine;7-methyl-[1,3]thiazolo[5,4-d]pyrimidine;3-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine;1,2,3-trimethylindole
SMILESCc1[nH]cnc1-c1ccccc1.Cc1c(C)n(C)c2ccccc12.Cc1c[nH]c2ccc(O)cc12.Cc1c[nH]c2ccccc12.Cc1c[nH]c2ncccc12.Cc1ccc2n[nH]nc2c1.Cc1ccc2snnc2c1.Cc1cccc2n[nH]nc12.Cc1cnc(-c2ccccc2)[nH]1.Cc1cnc2ccccn12.Cc1cnc2cccnc2n1.Cc1cnn(-c2ccccc2)c1.Cc1cnn2ccccc12.Cc1nc(-c2cccnc2)n[nH]1.Cc1nc2ccccc2n1C.Cc1nc2ncncc2[nH]1.Cc1ncc2[nH]cnc2n1.Cc1ncc2nccnc2n1.Cc1ncnc2nc[nH]c12.Cc1ncnc2nccnc12.Cc1ncnc2scnc12
InChIInChI=1S/C11H13N.3C10H10N2.C9H10N2.C9H9NO.C9H9N.C8H8N4.C8H7N3.3C8H8N2.2C7H6N4.2C7H7N3.C7H6N2S.3C6H6N4.C6H5N3S/c1-8-9(2)12(3)11-7-5-4-6-10(8)11;1-9-7-11-12(8-9)10-5-3-2-4-6-10;1-8-10(12-7-11-8)9-5-3-2-4-6-9;1-8-7-11-10(12-8)9-5-3-2-4-6-9;1-7-10-8-5-3-4-6-9(8)11(7)2;1-6-5-10-9-3-2-7(11)4-8(6)9;1-7-6-10-9-5-3-2-4-8(7)9;1-6-10-8(12-11-6)7-3-2-4-9-5-7;1-6-5-10-7-3-2-4-9-8(7)11-6;1-6-5-10-8-7(6)3-2-4-9-8;1-7-6-9-8-4-2-3-5-10(7)8;1-7-6-9-10-5-3-2-4-8(7)10;1-5-6-7(11-4-10-5)9-3-2-8-6;1-5-10-4-6-7(11-5)9-3-2-8-6;1-5-2-3-6-7(4-5)9-10-8-6;1-5-3-2-4-6-7(5)9-10-8-6;1-5-2-3-7-6(4-5)8-9-10-7;1-4-5-6(9-2-7-4)10-3-8-5;1-4-7-2-5-6(10-4)9-3-8-5;1-4-9-5-2-7-3-8-6(5)10-4;1-4-5-6(8-2-7-4)10-3-9-5/h4-7H,1-3H3;2-8H,1H3;2*2-7H,1H3,(H,11,12);3-6H,1-2H3;2-5,10-11H,1H3;2-6,10H,1H3;2-5H,1H3,(H,10,11,12);2-5H,1H3;2-5H,1H3,(H,9,10);2*2-6H,1H3;2*2-4H,1H3;2*2-4H,1H3,(H,8,9,10);2-4H,1H3;3*2-3H,1H3,(H,7,8,9,10);2-3H,1H3
InChIKeyITIMRVHDNMKJQU-UHFFFAOYSA-N
MW3022.67 g/mol
LogP33.32
Rot. Bonds4

About 1,2-dimethylbenzimidazole;5-methyl-1,2,3-benzothiadiazole;4-methyl-2H-benzotriazole;5-methyl-2H-benzotriazole;3-methylimidazo[1,2-a]pyridine;3-methyl-1H-indole;3-methyl-1H-indol-5-ol;5-methyl-2-phenyl-1H-imidazole;5-methyl-4-phenyl-1H-imidazole;4-methyl-1-phenylpyrazole;2-methylpteridine;4-methylpteridine;2-methyl-7H-purine;6-methyl-7H-purine;8-methyl-7H-purine;3-methylpyrazolo[1,5-a]pyridine;3-methylpyrido[2,3-b]pyrazine;3-methyl-1H-pyrrolo[2,3-b]pyridine;7-methyl-[1,3]thiazolo[5,4-d]pyrimidine;3-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine;1,2,3-trimethylindole

1,2-dimethylbenzimidazole;5-methyl-1,2,3-benzothiadiazole;4-methyl-2H-benzotriazole;5-methyl-2H-benzotriazole;3-methylimidazo[1,2-a]pyridine;3-methyl-1H-indole;3-methyl-1H-indol-5-ol;5-methyl-2-phenyl-1H-imidazole;5-methyl-4-phenyl-1H-imidazole;4-methyl-1-phenylpyrazole;2-methylpteridine;4-methylpteridine;2-methyl-7H-purine;6-methyl-7H-purine;8-methyl-7H-purine;3-methylpyrazolo[1,5-a]pyridine;3-methylpyrido[2,3-b]pyrazine;3-methyl-1H-pyrrolo[2,3-b]pyridine;7-methyl-[1,3]thiazolo[5,4-d]pyrimidine;3-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine;1,2,3-trimethylindole (PubChem CID 158799825) has the molecular formula C167H165N55OS2 and a molecular weight of 3022.67 g/mol. Its IUPAC name is 1,2-dimethylbenzimidazole;5-methyl-1,2,3-benzothiadiazole;4-methyl-2H-benzotriazole;5-methyl-2H-benzotriazole;3-methylimidazo[1,2-a]pyridine;3-methyl-1H-indole;3-methyl-1H-indol-5-ol;5-methyl-2-phenyl-1H-imidazole;5-methyl-4-phenyl-1H-imidazole;4-methyl-1-phenylpyrazole;2-methylpteridine;4-methylpteridine;2-methyl-7H-purine;6-methyl-7H-purine;8-methyl-7H-purine;3-methylpyrazolo[1,5-a]pyridine;3-methylpyrido[2,3-b]pyrazine;3-methyl-1H-pyrrolo[2,3-b]pyridine;7-methyl-[1,3]thiazolo[5,4-d]pyrimidine;3-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine;1,2,3-trimethylindole.

Molecular Properties

Compound Name1,2-dimethylbenzimidazole;5-methyl-1,2,3-benzothiadiazole;4-methyl-2H-benzotriazole;5-methyl-2H-benzotriazole;3-methylimidazo[1,2-a]pyridine;3-methyl-1H-indole;3-methyl-1H-indol-5-ol;5-methyl-2-phenyl-1H-imidazole;5-methyl-4-phenyl-1H-imidazole;4-methyl-1-phenylpyrazole;2-methylpteridine;4-methylpteridine;2-methyl-7H-purine;6-methyl-7H-purine;8-methyl-7H-purine;3-methylpyrazolo[1,5-a]pyridine;3-methylpyrido[2,3-b]pyrazine;3-methyl-1H-pyrrolo[2,3-b]pyridine;7-methyl-[1,3]thiazolo[5,4-d]pyrimidine;3-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine;1,2,3-trimethylindole
PubChem CID158799825
Molecular FormulaC167H165N55OS2
Molecular Weight3022.67 g/mol
Exact Mass3020.40
IUPAC Name1,2-dimethylbenzimidazole;5-methyl-1,2,3-benzothiadiazole;4-methyl-2H-benzotriazole;5-methyl-2H-benzotriazole;3-methylimidazo[1,2-a]pyridine;3-methyl-1H-indole;3-methyl-1H-indol-5-ol;5-methyl-2-phenyl-1H-imidazole;5-methyl-4-phenyl-1H-imidazole;4-methyl-1-phenylpyrazole;2-methylpteridine;4-methylpteridine;2-methyl-7H-purine;6-methyl-7H-purine;8-methyl-7H-purine;3-methylpyrazolo[1,5-a]pyridine;3-methylpyrido[2,3-b]pyrazine;3-methyl-1H-pyrrolo[2,3-b]pyridine;7-methyl-[1,3]thiazolo[5,4-d]pyrimidine;3-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine;1,2,3-trimethylindole
SMILESCc1[nH]cnc1-c1ccccc1.Cc1c(C)n(C)c2ccccc12.Cc1c[nH]c2ccc(O)cc12.Cc1c[nH]c2ccccc12.Cc1c[nH]c2ncccc12.Cc1ccc2n[nH]nc2c1.Cc1ccc2snnc2c1.Cc1cccc2n[nH]nc12.Cc1cnc(-c2ccccc2)[nH]1.Cc1cnc2ccccn12.Cc1cnc2cccnc2n1.Cc1cnn(-c2ccccc2)c1.Cc1cnn2ccccc12.Cc1nc(-c2cccnc2)n[nH]1.Cc1nc2ccccc2n1C.Cc1nc2ncncc2[nH]1.Cc1ncc2[nH]cnc2n1.Cc1ncc2nccnc2n1.Cc1ncnc2nc[nH]c12.Cc1ncnc2nccnc12.Cc1ncnc2scnc12
InChIInChI=1S/C11H13N.3C10H10N2.C9H10N2.C9H9NO.C9H9N.C8H8N4.C8H7N3.3C8H8N2.2C7H6N4.2C7H7N3.C7H6N2S.3C6H6N4.C6H5N3S/c1-8-9(2)12(3)11-7-5-4-6-10(8)11;1-9-7-11-12(8-9)10-5-3-2-4-6-10;1-8-10(12-7-11-8)9-5-3-2-4-6-9;1-8-7-11-10(12-8)9-5-3-2-4-6-9;1-7-10-8-5-3-4-6-9(8)11(7)2;1-6-5-10-9-3-2-7(11)4-8(6)9;1-7-6-10-9-5-3-2-4-8(7)9;1-6-10-8(12-11-6)7-3-2-4-9-5-7;1-6-5-10-7-3-2-4-9-8(7)11-6;1-6-5-10-8-7(6)3-2-4-9-8;1-7-6-9-8-4-2-3-5-10(7)8;1-7-6-9-10-5-3-2-4-8(7)10;1-5-6-7(11-4-10-5)9-3-2-8-6;1-5-10-4-6-7(11-5)9-3-2-8-6;1-5-2-3-6-7(4-5)9-10-8-6;1-5-3-2-4-6-7(5)9-10-8-6;1-5-2-3-7-6(4-5)8-9-10-7;1-4-5-6(9-2-7-4)10-3-8-5;1-4-7-2-5-6(10-4)9-3-8-5;1-4-9-5-2-7-3-8-6(5)10-4;1-4-5-6(8-2-7-4)10-3-9-5/h4-7H,1-3H3;2-8H,1H3;2*2-7H,1H3,(H,11,12);3-6H,1-2H3;2-5,10-11H,1H3;2-6,10H,1H3;2-5H,1H3,(H,10,11,12);2-5H,1H3;2-5H,1H3,(H,9,10);2*2-6H,1H3;2*2-4H,1H3;2*2-4H,1H3,(H,8,9,10);2-4H,1H3;3*2-3H,1H3,(H,7,8,9,10);2-3H,1H3
InChIKeyITIMRVHDNMKJQU-UHFFFAOYSA-N
XLogP33.32
TPSA720.24 Ų
H-Bond Donors12
H-Bond Acceptors47
Rotatable Bonds4
Heavy Atoms225
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003022.67
LogP ≤ 533.32
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1047

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 1,2-dimethylbenzimidazole;5-methyl-1,2,3-benzothiadiazole;4-methyl-2H-benzotriazole;5-methyl-2H-benzotriazole;3-methylimidazo[1,2-a]pyridine;3-methyl-1H-indole;3-methyl-1H-indol-5-ol;5-methyl-2-phenyl-1H-imidazole;5-methyl-4-phenyl-1H-imidazole;4-methyl-1-phenylpyrazole;2-methylpteridine;4-methylpteridine;2-methyl-7H-purine;6-methyl-7H-purine;8-methyl-7H-purine;3-methylpyrazolo[1,5-a]pyridine;3-methylpyrido[2,3-b]pyrazine;3-methyl-1H-pyrrolo[2,3-b]pyridine;7-methyl-[1,3]thiazolo[5,4-d]pyrimidine;3-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine;1,2,3-trimethylindole with MolForge

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Related Compounds

2-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;tert-butylcyclohexane;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1-benzofuran;2-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indole;5-tert-butylindolizine;5-tert-butylisoquinoline;2-tert-butylpyrimidine;4-tert-butylpyrimidine;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyrazine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;4-methylpyridazine;2-methyl-[1,3]thiazolo[5,4-c]pyridine
CID 157096277
3-(2-amino-3H-benzimidazol-5-yl)-1-[[2-(2-fluorophenyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine;N-[6-[4-amino-1-[[2-[methyl(propan-2-yl)amino]quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzothiazol-2-yl]acetamide;3-[4-amino-1-[[2-[methyl(propan-2-yl)amino]quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenol;3-[4-amino-1-[(2-phenylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
CID 157211825
6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-(2,6-dimethylpiperidin-4-yl)oxy-4-fluoro-1,3-benzothiazole;N-methyl-6-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine;2-[2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-[1,3]thiazolo[4,5-c]pyridin-6-yl]-5-(1H-pyrazol-4-yl)phenol
CID 157241689
N-[6-[4-amino-1-[[2-[2-(4-methylpiperazin-1-yl)ethyl]quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzothiazol-2-yl]acetamide;3-[4-amino-1-[[2-[2-(4-methylpiperazin-1-yl)ethyl]quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-(2-amino-4-pyridinyl)-1-[[2-(2-fluorophenyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine;3-(2-amino-4-pyridinyl)-1-[(2-phenylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 157269005
3-[2,5-difluoro-4-(5-fluoro-1H-pyrazol-4-yl)phenyl]-N-methyl-N-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridazin-6-amine;5-(5-fluoro-1H-pyrazol-4-yl)-2-[6-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]phenol;5-imidazol-1-yl-2-[6-[methyl-(1-methylpiperidin-4-yl)amino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]phenol
CID 157514750
5-[2-[9-azabicyclo[3.3.1]nonan-3-yl(methyl)amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-2-methylindazole-7-carbonitrile;2-[6-[methyl-(1-methylpiperidin-4-yl)amino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
CID 157654078
6-(2,7-dimethylindazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-b]pyrazin-2-amine;N-methyl-5-(2-methylimidazo[1,2-a]pyridin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;2-[2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-[1,3]thiazolo[4,5-b]pyrazin-6-yl]-5-(1H-pyrazol-4-yl)phenol
CID 157829807
N-(1,2-dimethylpiperidin-4-yl)-6-(7-isocyano-2-methylindazol-5-yl)-N-methyl-[1,3]thiazolo[4,5-c]pyridin-2-amine;2-[6-[methyl-[3-(methylamino)cyclobutyl]amino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[methyl-(1-methylpyrrolidin-3-yl)amino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
CID 157891485
1-[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzothiazol-2-yl]piperidin-4-ol;N-methyl-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-b]pyrazin-2-amine;2-[2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]-5-(1H-pyrazol-4-yl)phenol
CID 157915073
1,2-dimethylbenzimidazole;5-methyl-1,2,3-benzothiadiazole;4-methyl-2H-benzotriazole;5-methyl-2H-benzotriazole;(2-methylcyclopenta-1,4-dien-1-yl)benzene;3-methylimidazo[1,2-a]pyridine;3-methyl-1H-indole;3-methyl-1H-indol-5-ol;5-methyl-2-phenyl-1H-imidazole;4-methyl-1-phenylpyrazole;2-methylpteridine;4-methylpteridine;2-methyl-7H-purine;6-methyl-7H-purine;8-methyl-7H-purine;3-methylpyrazolo[1,5-a]pyridine;3-methylpyrido[2,3-b]pyrazine;3-methyl-1H-pyrrolo[2,3-b]pyridine;7-methyl-[1,3]thiazolo[5,4-d]pyrimidine;3-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine;1,2,3-trimethylindole
CID 157997487
5-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;tert-butylcyclohexane;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1H-indole;5-tert-butylindolizine;5-tert-butylisoquinoline;2-tert-butylpyrimidine;4-tert-butylpyrimidine;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyrazine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;2-tert-butylthieno[2,3-c]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;4-methylpyridazine
CID 158024310
5-fluoro-3-methyl-1H-indole;5-methyl-1,2,3-benzothiadiazole;2-methyl-1,3-benzothiazole;4-methyl-2H-benzotriazole;5-methyl-2H-benzotriazole;2-methylimidazo[1,2-a]pyridine;3-methylimidazo[1,2-a]pyridine;3-methyl-1H-indole;3-methyl-1H-indol-5-ol;5-methyl-2-phenyl-1H-imidazole;5-methyl-4-phenyl-1H-imidazole;5-methyl-3-phenyl-1,2,4-oxadiazole;2-methyl-7H-purine;6-methyl-7H-purine;8-methyl-7H-purine;3-methylpyrazolo[1,5-a]pyridine;3-methyl-1H-pyrrolo[2,3-b]pyridine;7-methyl-[1,3]thiazolo[5,4-d]pyrimidine;3-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine
CID 158179994

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylbenzimidazole;5-methyl-1,2,3-benzothiadiazole;4-methyl-2H-benzotriazole;5-methyl-2H-benzotriazole;3-methylimidazo[1,2-a]pyridine;3-methyl-1H-indole;3-methyl-1H-indol-5-ol;5-methyl-2-phenyl-1H-imidazole;5-methyl-4-phenyl-1H-imidazole;4-methyl-1-phenylpyrazole;2-methylpteridine;4-methylpteridine;2-methyl-7H-purine;6-methyl-7H-purine;8-methyl-7H-purine;3-methylpyrazolo[1,5-a]pyridine;3-methylpyrido[2,3-b]pyrazine;3-methyl-1H-pyrrolo[2,3-b]pyridine;7-methyl-[1,3]thiazolo[5,4-d]pyrimidine;3-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine;1,2,3-trimethylindole?
The IUPAC name of 1,2-dimethylbenzimidazole;5-methyl-1,2,3-benzothiadiazole;4-methyl-2H-benzotriazole;5-methyl-2H-benzotriazole;3-methylimidazo[1,2-a]pyridine;3-methyl-1H-indole;3-methyl-1H-indol-5-ol;5-methyl-2-phenyl-1H-imidazole;5-methyl-4-phenyl-1H-imidazole;4-methyl-1-phenylpyrazole;2-methylpteridine;4-methylpteridine;2-methyl-7H-purine;6-methyl-7H-purine;8-methyl-7H-purine;3-methylpyrazolo[1,5-a]pyridine;3-methylpyrido[2,3-b]pyrazine;3-methyl-1H-pyrrolo[2,3-b]pyridine;7-methyl-[1,3]thiazolo[5,4-d]pyrimidine;3-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine;1,2,3-trimethylindole (CID 158799825) is 1,2-dimethylbenzimidazole;5-methyl-1,2,3-benzothiadiazole;4-methyl-2H-benzotriazole;5-methyl-2H-benzotriazole;3-methylimidazo[1,2-a]pyridine;3-methyl-1H-indole;3-methyl-1H-indol-5-ol;5-methyl-2-phenyl-1H-imidazole;5-methyl-4-phenyl-1H-imidazole;4-methyl-1-phenylpyrazole;2-methylpteridine;4-methylpteridine;2-methyl-7H-purine;6-methyl-7H-purine;8-methyl-7H-purine;3-methylpyrazolo[1,5-a]pyridine;3-methylpyrido[2,3-b]pyrazine;3-methyl-1H-pyrrolo[2,3-b]pyridine;7-methyl-[1,3]thiazolo[5,4-d]pyrimidine;3-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine;1,2,3-trimethylindole.
What is the SMILES notation for 1,2-dimethylbenzimidazole;5-methyl-1,2,3-benzothiadiazole;4-methyl-2H-benzotriazole;5-methyl-2H-benzotriazole;3-methylimidazo[1,2-a]pyridine;3-methyl-1H-indole;3-methyl-1H-indol-5-ol;5-methyl-2-phenyl-1H-imidazole;5-methyl-4-phenyl-1H-imidazole;4-methyl-1-phenylpyrazole;2-methylpteridine;4-methylpteridine;2-methyl-7H-purine;6-methyl-7H-purine;8-methyl-7H-purine;3-methylpyrazolo[1,5-a]pyridine;3-methylpyrido[2,3-b]pyrazine;3-methyl-1H-pyrrolo[2,3-b]pyridine;7-methyl-[1,3]thiazolo[5,4-d]pyrimidine;3-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine;1,2,3-trimethylindole?
The canonical SMILES for 1,2-dimethylbenzimidazole;5-methyl-1,2,3-benzothiadiazole;4-methyl-2H-benzotriazole;5-methyl-2H-benzotriazole;3-methylimidazo[1,2-a]pyridine;3-methyl-1H-indole;3-methyl-1H-indol-5-ol;5-methyl-2-phenyl-1H-imidazole;5-methyl-4-phenyl-1H-imidazole;4-methyl-1-phenylpyrazole;2-methylpteridine;4-methylpteridine;2-methyl-7H-purine;6-methyl-7H-purine;8-methyl-7H-purine;3-methylpyrazolo[1,5-a]pyridine;3-methylpyrido[2,3-b]pyrazine;3-methyl-1H-pyrrolo[2,3-b]pyridine;7-methyl-[1,3]thiazolo[5,4-d]pyrimidine;3-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine;1,2,3-trimethylindole is Cc1[nH]cnc1-c1ccccc1.Cc1c(C)n(C)c2ccccc12.Cc1c[nH]c2ccc(O)cc12.Cc1c[nH]c2ccccc12.Cc1c[nH]c2ncccc12.Cc1ccc2n[nH]nc2c1.Cc1ccc2snnc2c1.Cc1cccc2n[nH]nc12.Cc1cnc(-c2ccccc2)[nH]1.Cc1cnc2ccccn12.Cc1cnc2cccnc2n1.Cc1cnn(-c2ccccc2)c1.Cc1cnn2ccccc12.Cc1nc(-c2cccnc2)n[nH]1.Cc1nc2ccccc2n1C.Cc1nc2ncncc2[nH]1.Cc1ncc2[nH]cnc2n1.Cc1ncc2nccnc2n1.Cc1ncnc2nc[nH]c12.Cc1ncnc2nccnc12.Cc1ncnc2scnc12.
What is the InChIKey of 1,2-dimethylbenzimidazole;5-methyl-1,2,3-benzothiadiazole;4-methyl-2H-benzotriazole;5-methyl-2H-benzotriazole;3-methylimidazo[1,2-a]pyridine;3-methyl-1H-indole;3-methyl-1H-indol-5-ol;5-methyl-2-phenyl-1H-imidazole;5-methyl-4-phenyl-1H-imidazole;4-methyl-1-phenylpyrazole;2-methylpteridine;4-methylpteridine;2-methyl-7H-purine;6-methyl-7H-purine;8-methyl-7H-purine;3-methylpyrazolo[1,5-a]pyridine;3-methylpyrido[2,3-b]pyrazine;3-methyl-1H-pyrrolo[2,3-b]pyridine;7-methyl-[1,3]thiazolo[5,4-d]pyrimidine;3-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine;1,2,3-trimethylindole?
The InChIKey is ITIMRVHDNMKJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N.3C10H10N2.C9H10N2.C9H9NO.C9H9N.C8H8N4.C8H7N3.3C8H8N2.2C7H6N4.2C7H7N3.C7H6N2S.3C6H6N4.C6H5N3S/c1-8-9(2)12(3)11-7-5-4-6-10(8)11;1-9-7-11-12(8-9)10-5-3-2-4-6-10;1-8-10(12-7-11-8)9-5-3-2-4-6-9;1-8-7-11-10(12-8)9-5-3-2-4-6-9;1-7-10-8-5-3-4-6-9(8)11(7)2;1-6-5-10-9-3-2-7(11)4-8(6)9;1-7-6-10-9-5-3-2-4-8(7)9;1-6-10-8(12-11-6)7-3-2-4-9-5-7;1-6-5-10-7-3-2-4-9-8(7)11-6;1-6-5-10-8-7(6)3-2-4-9-8;1-7-6-9-8-4-2-3-5-10(7)8;1-7-6-9-10-5-3-2-4-8(7)10;1-5-6-7(11-4-10-5)9-3-2-8-6;1-5-10-4-6-7(11-5)9-3-2-8-6;1-5-2-3-6-7(4-5)9-10-8-6;1-5-3-2-4-6-7(5)9-10-8-6;1-5-2-3-7-6(4-5)8-9-10-7;1-4-5-6(9-2-7-4)10-3-8-5;1-4-7-2-5-6(10-4)9-3-8-5;1-4-9-5-2-7-3-8-6(5)10-4;1-4-5-6(8-2-7-4)10-3-9-5/h4-7H,1-3H3;2-8H,1H3;2*2-7H,1H3,(H,11,12);3-6H,1-2H3;2-5,10-11H,1H3;2-6,10H,1H3;2-5H,1H3,(H,10,11,12);2-5H,1H3;2-5H,1H3,(H,9,10);2*2-6H,1H3;2*2-4H,1H3;2*2-4H,1H3,(H,8,9,10);2-4H,1H3;3*2-3H,1H3,(H,7,8,9,10);2-3H,1H3.
What are the key properties of 1,2-dimethylbenzimidazole;5-methyl-1,2,3-benzothiadiazole;4-methyl-2H-benzotriazole;5-methyl-2H-benzotriazole;3-methylimidazo[1,2-a]pyridine;3-methyl-1H-indole;3-methyl-1H-indol-5-ol;5-methyl-2-phenyl-1H-imidazole;5-methyl-4-phenyl-1H-imidazole;4-methyl-1-phenylpyrazole;2-methylpteridine;4-methylpteridine;2-methyl-7H-purine;6-methyl-7H-purine;8-methyl-7H-purine;3-methylpyrazolo[1,5-a]pyridine;3-methylpyrido[2,3-b]pyrazine;3-methyl-1H-pyrrolo[2,3-b]pyridine;7-methyl-[1,3]thiazolo[5,4-d]pyrimidine;3-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine;1,2,3-trimethylindole?
1,2-dimethylbenzimidazole;5-methyl-1,2,3-benzothiadiazole;4-methyl-2H-benzotriazole;5-methyl-2H-benzotriazole;3-methylimidazo[1,2-a]pyridine;3-methyl-1H-indole;3-methyl-1H-indol-5-ol;5-methyl-2-phenyl-1H-imidazole;5-methyl-4-phenyl-1H-imidazole;4-methyl-1-phenylpyrazole;2-methylpteridine;4-methylpteridine;2-methyl-7H-purine;6-methyl-7H-purine;8-methyl-7H-purine;3-methylpyrazolo[1,5-a]pyridine;3-methylpyrido[2,3-b]pyrazine;3-methyl-1H-pyrrolo[2,3-b]pyridine;7-methyl-[1,3]thiazolo[5,4-d]pyrimidine;3-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine;1,2,3-trimethylindole has a molecular weight of 3022.67 g/mol, XLogP of 33.32, 4 rotatable bonds, 12 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylbenzimidazole;5-methyl-1,2,3-benzothiadiazole;4-methyl-2H-benzotriazole;5-methyl-2H-benzotriazole;3-methylimidazo[1,2-a]pyridine;3-methyl-1H-indole;3-methyl-1H-indol-5-ol;5-methyl-2-phenyl-1H-imidazole;5-methyl-4-phenyl-1H-imidazole;4-methyl-1-phenylpyrazole;2-methylpteridine;4-methylpteridine;2-methyl-7H-purine;6-methyl-7H-purine;8-methyl-7H-purine;3-methylpyrazolo[1,5-a]pyridine;3-methylpyrido[2,3-b]pyrazine;3-methyl-1H-pyrrolo[2,3-b]pyridine;7-methyl-[1,3]thiazolo[5,4-d]pyrimidine;3-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine;1,2,3-trimethylindole is sourced from PubChem (CID 158799825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).