1,2-dimethylbenzimidazole;1,5-dimethylbenzimidazole;1,5-dimethylindazole;1,6-dimethylindazole;1,5-dimethylindole;6-methyl-1-benzofuran;6-methyl-1-benzothiophene;6-methyl-1,2-benzoxazole;bis(2-methyl-3H-indole);bis(6-methyl-3H-indole);5-methyl-1H-isoindole;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methylquinazoline;2-methylquinoline;6-methylquinoline;8-methylquinoline;toluene

C206H213N33O2S — CID 159599488

IUPAC1,2-dimethylbenzimidazole;1,5-dimethylbenzimidazole;1,5-dimethylindazole;1,6-dimethylindazole;1,5-dimethylindole;6-methyl-1-benzofuran;6-methyl-1-benzothiophene;6-methyl-1,2-benzoxazole;bis(2-methyl-3H-indole);bis(6-methyl-3H-indole);5-methyl-1H-isoindole;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methylquinazoline;2-methylquinoline;6-methylquinoline;8-methylquinoline;toluene
SMILESCC1=Nc2ccccc2C1.CC1=Nc2ccccc2C1.Cc1ccc2c(c1)C=NC2.Cc1ccc2c(c1)N=CC2.Cc1ccc2c(c1)N=CC2.Cc1ccc2c(c1)ncn2C.Cc1ccc2c(ccn2C)c1.Cc1ccc2c(cnn2C)c1.Cc1ccc2ccccc2n1.Cc1ccc2ccoc2c1.Cc1ccc2ccsc2c1.Cc1ccc2cnn(C)c2c1.Cc1ccc2cnoc2c1.Cc1ccc2ncccc2c1.Cc1cccc2cccnc12.Cc1ccccc1.Cc1ccccn1.Cc1cccnc1.Cc1cccnn1.Cc1ccncc1.Cc1ccncn1.Cc1cnccn1.Cc1cncnc1.Cc1nc2ccccc2n1C.Cc1ncc2ccccc2n1.Cc1ncccn1
InChIInChI=1S/C10H11N.3C10H9N.4C9H10N2.C9H8N2.5C9H9N.C9H8O.C9H8S.C8H7NO.C7H8.3C6H7N.5C5H6N2/c1-8-3-4-10-9(7-8)5-6-11(10)2;1-8-4-2-5-9-6-3-7-11-10(8)9;1-8-4-5-10-9(7-8)3-2-6-11-10;1-8-6-7-9-4-2-3-5-10(9)11-8;1-7-3-4-9-8(5-7)10-6-11(9)2;1-7-3-4-9-8(5-7)6-10-11(9)2;1-7-3-4-8-6-10-11(2)9(8)5-7;1-7-10-8-5-3-4-6-9(8)11(7)2;1-7-10-6-8-4-2-3-5-9(8)11-7;1-7-2-3-8-5-10-6-9(8)4-7;2*1-7-2-3-8-4-5-10-9(8)6-7;2*1-7-6-8-4-2-3-5-9(8)10-7;2*1-7-2-3-8-4-5-10-9(8)6-7;1-6-2-3-7-5-9-10-8(7)4-6;1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-2-6-4-7-3-5;1-5-4-6-2-3-7-5;1-5-2-3-6-4-7-5;1-5-6-3-2-4-7-5;1-5-3-2-4-6-7-5/h3-7H,1-2H3;3*2-7H,1H3;4*3-6H,1-2H3;2-6H,1H3;2-4,6H,5H2,1H3;2*2-3,5-6H,4H2,1H3;2*2-5H,6H2,1H3;2*2-6H,1H3;2-5H,1H3;2-6H,1H3;3*2-5H,1H3;5*2-4H,1H3
InChIKeyMLHADWYWHXIHSR-UHFFFAOYSA-N
MW3215.27 g/mol
LogP48.86
Rot. Bonds

About 1,2-dimethylbenzimidazole;1,5-dimethylbenzimidazole;1,5-dimethylindazole;1,6-dimethylindazole;1,5-dimethylindole;6-methyl-1-benzofuran;6-methyl-1-benzothiophene;6-methyl-1,2-benzoxazole;bis(2-methyl-3H-indole);bis(6-methyl-3H-indole);5-methyl-1H-isoindole;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methylquinazoline;2-methylquinoline;6-methylquinoline;8-methylquinoline;toluene

1,2-dimethylbenzimidazole;1,5-dimethylbenzimidazole;1,5-dimethylindazole;1,6-dimethylindazole;1,5-dimethylindole;6-methyl-1-benzofuran;6-methyl-1-benzothiophene;6-methyl-1,2-benzoxazole;bis(2-methyl-3H-indole);bis(6-methyl-3H-indole);5-methyl-1H-isoindole;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methylquinazoline;2-methylquinoline;6-methylquinoline;8-methylquinoline;toluene (PubChem CID 159599488) has the molecular formula C206H213N33O2S and a molecular weight of 3215.27 g/mol. Its IUPAC name is 1,2-dimethylbenzimidazole;1,5-dimethylbenzimidazole;1,5-dimethylindazole;1,6-dimethylindazole;1,5-dimethylindole;6-methyl-1-benzofuran;6-methyl-1-benzothiophene;6-methyl-1,2-benzoxazole;bis(2-methyl-3H-indole);bis(6-methyl-3H-indole);5-methyl-1H-isoindole;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methylquinazoline;2-methylquinoline;6-methylquinoline;8-methylquinoline;toluene.

Molecular Properties

Compound Name1,2-dimethylbenzimidazole;1,5-dimethylbenzimidazole;1,5-dimethylindazole;1,6-dimethylindazole;1,5-dimethylindole;6-methyl-1-benzofuran;6-methyl-1-benzothiophene;6-methyl-1,2-benzoxazole;bis(2-methyl-3H-indole);bis(6-methyl-3H-indole);5-methyl-1H-isoindole;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methylquinazoline;2-methylquinoline;6-methylquinoline;8-methylquinoline;toluene
PubChem CID159599488
Molecular FormulaC206H213N33O2S
Molecular Weight3215.27 g/mol
Exact Mass3212.73
IUPAC Name1,2-dimethylbenzimidazole;1,5-dimethylbenzimidazole;1,5-dimethylindazole;1,6-dimethylindazole;1,5-dimethylindole;6-methyl-1-benzofuran;6-methyl-1-benzothiophene;6-methyl-1,2-benzoxazole;bis(2-methyl-3H-indole);bis(6-methyl-3H-indole);5-methyl-1H-isoindole;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methylquinazoline;2-methylquinoline;6-methylquinoline;8-methylquinoline;toluene
SMILESCC1=Nc2ccccc2C1.CC1=Nc2ccccc2C1.Cc1ccc2c(c1)C=NC2.Cc1ccc2c(c1)N=CC2.Cc1ccc2c(c1)N=CC2.Cc1ccc2c(c1)ncn2C.Cc1ccc2c(ccn2C)c1.Cc1ccc2c(cnn2C)c1.Cc1ccc2ccccc2n1.Cc1ccc2ccoc2c1.Cc1ccc2ccsc2c1.Cc1ccc2cnn(C)c2c1.Cc1ccc2cnoc2c1.Cc1ccc2ncccc2c1.Cc1cccc2cccnc12.Cc1ccccc1.Cc1ccccn1.Cc1cccnc1.Cc1cccnn1.Cc1ccncc1.Cc1ccncn1.Cc1cnccn1.Cc1cncnc1.Cc1nc2ccccc2n1C.Cc1ncc2ccccc2n1.Cc1ncccn1
InChIInChI=1S/C10H11N.3C10H9N.4C9H10N2.C9H8N2.5C9H9N.C9H8O.C9H8S.C8H7NO.C7H8.3C6H7N.5C5H6N2/c1-8-3-4-10-9(7-8)5-6-11(10)2;1-8-4-2-5-9-6-3-7-11-10(8)9;1-8-4-5-10-9(7-8)3-2-6-11-10;1-8-6-7-9-4-2-3-5-10(9)11-8;1-7-3-4-9-8(5-7)10-6-11(9)2;1-7-3-4-9-8(5-7)6-10-11(9)2;1-7-3-4-8-6-10-11(2)9(8)5-7;1-7-10-8-5-3-4-6-9(8)11(7)2;1-7-10-6-8-4-2-3-5-9(8)11-7;1-7-2-3-8-5-10-6-9(8)4-7;2*1-7-2-3-8-4-5-10-9(8)6-7;2*1-7-6-8-4-2-3-5-9(8)10-7;2*1-7-2-3-8-4-5-10-9(8)6-7;1-6-2-3-7-5-9-10-8(7)4-6;1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-2-6-4-7-3-5;1-5-4-6-2-3-7-5;1-5-2-3-6-4-7-5;1-5-6-3-2-4-7-5;1-5-3-2-4-6-7-5/h3-7H,1-2H3;3*2-7H,1H3;4*3-6H,1-2H3;2-6H,1H3;2-4,6H,5H2,1H3;2*2-3,5-6H,4H2,1H3;2*2-5H,6H2,1H3;2*2-6H,1H3;2-5H,1H3;2-6H,1H3;3*2-5H,1H3;5*2-4H,1H3
InChIKeyMLHADWYWHXIHSR-UHFFFAOYSA-N
XLogP48.86
TPSA409.20 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds
Heavy Atoms242
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003215.27
LogP ≤ 548.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Analyze 1,2-dimethylbenzimidazole;1,5-dimethylbenzimidazole;1,5-dimethylindazole;1,6-dimethylindazole;1,5-dimethylindole;6-methyl-1-benzofuran;6-methyl-1-benzothiophene;6-methyl-1,2-benzoxazole;bis(2-methyl-3H-indole);bis(6-methyl-3H-indole);5-methyl-1H-isoindole;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methylquinazoline;2-methylquinoline;6-methylquinoline;8-methylquinoline;toluene with MolForge

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Related Compounds

12-Dibenzothiophen-4-yl-23-thia-10-azahexacyclo[12.11.0.02,11.03,8.016,24.017,22]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),17,19,21-dodecaene;20-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-18-methyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;17-methyl-20-(9-phenylcarbazol-3-yl)-10-thia-15,18-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;15-methyl-20-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-10-thia-18-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 161901264
2-(5-tert-butyl-2-methylbenzimidazol-1-yl)-N,N-dimethylethanamine;N,N-dimethyl-2-(6-propan-2-yl-1-benzofuran-3-yl)ethanamine;N,N-dimethyl-2-(6-propan-2-yl-1-benzothiophen-3-yl)ethanamine;N,N-dimethyl-1-(7-propan-2-yl-1,3-dihydro-2-benzothiophen-4-yl)piperidin-4-amine;N,N-dimethyl-1-(4-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-7-yl)piperidin-4-amine;N,N-dimethyl-2-(5-propan-2-ylimidazo[4,5-b]pyridin-1-yl)ethanamine;N,N-dimethyl-2-(5-propan-2-ylindol-1-yl)ethanamine;N,N-dimethyl-2-(5-propan-2-ylpyrrolo[3,2-b]pyridin-1-yl)ethanamine;N,N-dimethyl-2-[5-propan-2-yl-2-(trifluoromethyl)benzimidazol-1-yl]ethanamine
CID 167592122
14-[3-(3-Dibenzofuran-2-ylcarbazol-9-yl)phenyl]-10-thia-2,5-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7(11),8,13,15-heptaene;iridium;4-[4-(2-methoxy-5-methyl-3-phenylphenyl)phenyl]-1-phenylpyrazole
CID 59359476
4-(1H-benzimidazol-2-yl)-7-(1-benzofuran-3-yl)-6-(1-benzothiophen-3-yl)-3,5-bis(1H-indazol-3-yl)-8-(1H-indol-2-yl)quinoline
CID 123167562
4-Dibenzofuran-3-yl-17-[6-[7-(17-dibenzothiophen-3-yl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl)dibenzothiophen-4-yl]dibenzofuran-3-yl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene
CID 139484205
2-[7-[4-[4-Dibenzofuran-4-yl-6-(9-isoquinolin-3-yldibenzothiophen-1-yl)-1,3,5-triazin-2-yl]phenyl]-9-[4-(3-phenylphenyl)-6-[4-[3-[4-phenyl-6-[9-[3-(1-phenylbenzimidazol-2-yl)phenyl]dibenzothiophen-1-yl]pyrimidin-2-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-4-phenylquinazoline
CID 154939357
2,6-dimethyl-1H-benzimidazole;2,6-dimethyl-1-benzofuran;2,6-dimethyl-1-benzothiophene;4,6-dimethylpteridine;bis(2,6-dimethylpyridine);2,5-dimethylthiophene;methane;1,2,6-trimethylbenzimidazole;1,2,6-trimethylindole;bis(1,3-xylene)
CID 157052667
13,15-Diphenyl-16,18-diazahexacyclo[15.8.0.02,11.03,8.012,16.019,24]pentacosa-1(25),2(11),3,5,7,9,12,14,17,19,21,23-dodecaene;13,15-diphenyl-26-oxa-16-azaheptacyclo[15.11.0.02,11.03,8.012,16.019,27.020,25]octacosa-1(17),2(11),3,5,7,9,12,14,18,20,22,24,27-tridecaene;13,15-diphenyl-16,18,20,23,25-pentazahexacyclo[15.8.0.02,11.03,8.012,16.019,24]pentacosa-1(25),2(11),3,5,7,9,12,14,17,19,21,23-dodecaene;13,15-diphenyl-26-thia-16-azaheptacyclo[15.11.0.02,11.03,8.012,16.019,27.020,25]octacosa-1(17),2(11),3,5,7,9,12,14,18,20,22,24,27-tridecaene;13,15-diphenyl-16,18,25-triazahexacyclo[15.8.0.02,11.03,8.012,16.019,24]pentacosa-1(25),2(11),3,5,7,9,12,14,17,19,21,23-dodecaene
CID 157072162
1,3-Ditert-butylbenzene;2,5-ditert-butyl-1-benzofuran;2,6-ditert-butyl-1-benzofuran;1,4-ditert-butyl-2,5-dimethylbenzene;3,6-ditert-butyl-2,4-dimethylpyridine;2,5-ditert-butyl-1-methylimidazole;2,4-ditert-butyl-1-methylindole;2,6-ditert-butyl-1-methylindole;3,5-ditert-butyl-1-methylpyrazole;3,6-ditert-butyl-4-methylpyridazine;2,5-ditert-butyl-1-methylpyrrole;2,5-ditert-butylpyrazine;2,4-ditert-butylpyridine;2,6-ditert-butylpyridine;3,5-ditert-butylpyridine;2,5-ditert-butyl-1,3-thiazole;2,5-ditert-butylthiophene;2,5-ditert-butyl-1,3,7-trimethylindole
CID 157077113
2,5-Dimethyl-4-propan-2-yl-1,3-oxazole;1,5-dimethyl-4-propan-2-yltriazole;6-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;6-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine;6-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;4,5,6,7-tetramethyl-1-benzofuran;4,5,6,7-tetramethyl-2-propan-2-yl-1-benzothiophene;1,4,6,7-tetramethyl-5-propan-2-ylindole;1,2,3,4-tetramethyl-5-propan-2-ylpyrrole;1,2,3,5-tetramethyl-4-propan-2-ylpyrrole;4,6,7-trimethyl-5-propan-2-yl-1-benzothiophene;2,3,4-trimethyl-5-propan-2-ylfuran;2,3,5-trimethyl-4-propan-2-ylfuran;1,4,5-trimethyl-2-propan-2-ylimidazole;1,4,6-trimethyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;2,3,4-trimethyl-5-propan-2-ylthiophene;2,3,5-trimethyl-4-propan-2-ylthiophene
CID 157086512
7-[9-(4-Dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]quinoline;6-[9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]benzimidazolo[1,2-c]quinazoline;2-[4-[9-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-4-yl]phenyl]-1-phenylbenzimidazole;2-[9-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-4-yl]-4-phenylquinoline;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-4-phenylquinoline;4-phenyl-2-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]quinazoline
CID 157094150
7-[9-(4-Dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]quinoline;6-[9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzimidazolo[1,2-c]quinazoline;2-[4-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]phenyl]-1-phenylbenzimidazole;2-[9-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-3-yl]-1,10-phenanthroline;6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]benzimidazolo[1,2-c]quinazoline;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]benzo[h]quinoline;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-1,10-phenanthroline;2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]-4-phenylquinoline;4-phenyl-2-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]quinazoline
CID 157098124

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylbenzimidazole;1,5-dimethylbenzimidazole;1,5-dimethylindazole;1,6-dimethylindazole;1,5-dimethylindole;6-methyl-1-benzofuran;6-methyl-1-benzothiophene;6-methyl-1,2-benzoxazole;bis(2-methyl-3H-indole);bis(6-methyl-3H-indole);5-methyl-1H-isoindole;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methylquinazoline;2-methylquinoline;6-methylquinoline;8-methylquinoline;toluene?
The IUPAC name of 1,2-dimethylbenzimidazole;1,5-dimethylbenzimidazole;1,5-dimethylindazole;1,6-dimethylindazole;1,5-dimethylindole;6-methyl-1-benzofuran;6-methyl-1-benzothiophene;6-methyl-1,2-benzoxazole;bis(2-methyl-3H-indole);bis(6-methyl-3H-indole);5-methyl-1H-isoindole;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methylquinazoline;2-methylquinoline;6-methylquinoline;8-methylquinoline;toluene (CID 159599488) is 1,2-dimethylbenzimidazole;1,5-dimethylbenzimidazole;1,5-dimethylindazole;1,6-dimethylindazole;1,5-dimethylindole;6-methyl-1-benzofuran;6-methyl-1-benzothiophene;6-methyl-1,2-benzoxazole;bis(2-methyl-3H-indole);bis(6-methyl-3H-indole);5-methyl-1H-isoindole;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methylquinazoline;2-methylquinoline;6-methylquinoline;8-methylquinoline;toluene.
What is the SMILES notation for 1,2-dimethylbenzimidazole;1,5-dimethylbenzimidazole;1,5-dimethylindazole;1,6-dimethylindazole;1,5-dimethylindole;6-methyl-1-benzofuran;6-methyl-1-benzothiophene;6-methyl-1,2-benzoxazole;bis(2-methyl-3H-indole);bis(6-methyl-3H-indole);5-methyl-1H-isoindole;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methylquinazoline;2-methylquinoline;6-methylquinoline;8-methylquinoline;toluene?
The canonical SMILES for 1,2-dimethylbenzimidazole;1,5-dimethylbenzimidazole;1,5-dimethylindazole;1,6-dimethylindazole;1,5-dimethylindole;6-methyl-1-benzofuran;6-methyl-1-benzothiophene;6-methyl-1,2-benzoxazole;bis(2-methyl-3H-indole);bis(6-methyl-3H-indole);5-methyl-1H-isoindole;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methylquinazoline;2-methylquinoline;6-methylquinoline;8-methylquinoline;toluene is CC1=Nc2ccccc2C1.CC1=Nc2ccccc2C1.Cc1ccc2c(c1)C=NC2.Cc1ccc2c(c1)N=CC2.Cc1ccc2c(c1)N=CC2.Cc1ccc2c(c1)ncn2C.Cc1ccc2c(ccn2C)c1.Cc1ccc2c(cnn2C)c1.Cc1ccc2ccccc2n1.Cc1ccc2ccoc2c1.Cc1ccc2ccsc2c1.Cc1ccc2cnn(C)c2c1.Cc1ccc2cnoc2c1.Cc1ccc2ncccc2c1.Cc1cccc2cccnc12.Cc1ccccc1.Cc1ccccn1.Cc1cccnc1.Cc1cccnn1.Cc1ccncc1.Cc1ccncn1.Cc1cnccn1.Cc1cncnc1.Cc1nc2ccccc2n1C.Cc1ncc2ccccc2n1.Cc1ncccn1.
What is the InChIKey of 1,2-dimethylbenzimidazole;1,5-dimethylbenzimidazole;1,5-dimethylindazole;1,6-dimethylindazole;1,5-dimethylindole;6-methyl-1-benzofuran;6-methyl-1-benzothiophene;6-methyl-1,2-benzoxazole;bis(2-methyl-3H-indole);bis(6-methyl-3H-indole);5-methyl-1H-isoindole;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methylquinazoline;2-methylquinoline;6-methylquinoline;8-methylquinoline;toluene?
The InChIKey is MLHADWYWHXIHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N.3C10H9N.4C9H10N2.C9H8N2.5C9H9N.C9H8O.C9H8S.C8H7NO.C7H8.3C6H7N.5C5H6N2/c1-8-3-4-10-9(7-8)5-6-11(10)2;1-8-4-2-5-9-6-3-7-11-10(8)9;1-8-4-5-10-9(7-8)3-2-6-11-10;1-8-6-7-9-4-2-3-5-10(9)11-8;1-7-3-4-9-8(5-7)10-6-11(9)2;1-7-3-4-9-8(5-7)6-10-11(9)2;1-7-3-4-8-6-10-11(2)9(8)5-7;1-7-10-8-5-3-4-6-9(8)11(7)2;1-7-10-6-8-4-2-3-5-9(8)11-7;1-7-2-3-8-5-10-6-9(8)4-7;2*1-7-2-3-8-4-5-10-9(8)6-7;2*1-7-6-8-4-2-3-5-9(8)10-7;2*1-7-2-3-8-4-5-10-9(8)6-7;1-6-2-3-7-5-9-10-8(7)4-6;1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-2-6-4-7-3-5;1-5-4-6-2-3-7-5;1-5-2-3-6-4-7-5;1-5-6-3-2-4-7-5;1-5-3-2-4-6-7-5/h3-7H,1-2H3;3*2-7H,1H3;4*3-6H,1-2H3;2-6H,1H3;2-4,6H,5H2,1H3;2*2-3,5-6H,4H2,1H3;2*2-5H,6H2,1H3;2*2-6H,1H3;2-5H,1H3;2-6H,1H3;3*2-5H,1H3;5*2-4H,1H3.
What are the key properties of 1,2-dimethylbenzimidazole;1,5-dimethylbenzimidazole;1,5-dimethylindazole;1,6-dimethylindazole;1,5-dimethylindole;6-methyl-1-benzofuran;6-methyl-1-benzothiophene;6-methyl-1,2-benzoxazole;bis(2-methyl-3H-indole);bis(6-methyl-3H-indole);5-methyl-1H-isoindole;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methylquinazoline;2-methylquinoline;6-methylquinoline;8-methylquinoline;toluene?
1,2-dimethylbenzimidazole;1,5-dimethylbenzimidazole;1,5-dimethylindazole;1,6-dimethylindazole;1,5-dimethylindole;6-methyl-1-benzofuran;6-methyl-1-benzothiophene;6-methyl-1,2-benzoxazole;bis(2-methyl-3H-indole);bis(6-methyl-3H-indole);5-methyl-1H-isoindole;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methylquinazoline;2-methylquinoline;6-methylquinoline;8-methylquinoline;toluene has a molecular weight of 3215.27 g/mol, XLogP of 48.86, 0 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylbenzimidazole;1,5-dimethylbenzimidazole;1,5-dimethylindazole;1,6-dimethylindazole;1,5-dimethylindole;6-methyl-1-benzofuran;6-methyl-1-benzothiophene;6-methyl-1,2-benzoxazole;bis(2-methyl-3H-indole);bis(6-methyl-3H-indole);5-methyl-1H-isoindole;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methylquinazoline;2-methylquinoline;6-methylquinoline;8-methylquinoline;toluene is sourced from PubChem (CID 159599488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).