3-methyl-1-benzofuran;3-methyl-1,2-benzothiazole;3-methyl-1,2-benzoxazole;3-methyl-1,3-benzoxazol-2-one;1-methyl-2,3-dihydroindole;1-methylimidazo[1,5-a]pyridine;3-methyl-2H-indazole;1-methylindole;3-methyl-1H-indole;1-methyl-3H-indol-2-one;toluene

C92H91N11O5S — CID 158625853

IUPAC3-methyl-1-benzofuran;3-methyl-1,2-benzothiazole;3-methyl-1,2-benzoxazole;3-methyl-1,3-benzoxazol-2-one;1-methyl-2,3-dihydroindole;1-methylimidazo[1,5-a]pyridine;3-methyl-2H-indazole;1-methylindole;3-methyl-1H-indole;1-methyl-3H-indol-2-one;toluene
SMILESCN1C(=O)Cc2ccccc21.CN1CCc2ccccc21.Cc1[nH]nc2ccccc12.Cc1c[nH]c2ccccc12.Cc1ccccc1.Cc1coc2ccccc12.Cc1ncn2ccccc12.Cc1noc2ccccc12.Cc1nsc2ccccc12.Cn1c(=O)oc2ccccc21.Cn1ccc2ccccc21
InChIInChI=1S/C9H9NO.C9H11N.2C9H9N.C9H8O.2C8H8N2.C8H7NO2.C8H7NO.C8H7NS.C7H8/c1-10-8-5-3-2-4-7(8)6-9(10)11;2*1-10-7-6-8-4-2-3-5-9(8)10;2*1-7-6-10-9-5-3-2-4-8(7)9;1-7-8-4-2-3-5-10(8)6-9-7;1-6-7-4-2-3-5-8(7)10-9-6;1-9-6-4-2-3-5-7(6)11-8(9)10;2*1-6-7-4-2-3-5-8(7)10-9-6;1-7-5-3-2-4-6-7/h2-5H,6H2,1H3;2-5H,6-7H2,1H3;2-7H,1H3;2-6,10H,1H3;2*2-6H,1H3;2-5H,1H3,(H,9,10);2-5H,1H3;2*2-5H,1H3;2-6H,1H3
InChIKeyHYOUUCDCNGIPPS-UHFFFAOYSA-N
MW1462.88 g/mol
LogP21.66
Rot. Bonds

About 3-methyl-1-benzofuran;3-methyl-1,2-benzothiazole;3-methyl-1,2-benzoxazole;3-methyl-1,3-benzoxazol-2-one;1-methyl-2,3-dihydroindole;1-methylimidazo[1,5-a]pyridine;3-methyl-2H-indazole;1-methylindole;3-methyl-1H-indole;1-methyl-3H-indol-2-one;toluene

3-methyl-1-benzofuran;3-methyl-1,2-benzothiazole;3-methyl-1,2-benzoxazole;3-methyl-1,3-benzoxazol-2-one;1-methyl-2,3-dihydroindole;1-methylimidazo[1,5-a]pyridine;3-methyl-2H-indazole;1-methylindole;3-methyl-1H-indole;1-methyl-3H-indol-2-one;toluene (PubChem CID 158625853) has the molecular formula C92H91N11O5S and a molecular weight of 1462.88 g/mol. Its IUPAC name is 3-methyl-1-benzofuran;3-methyl-1,2-benzothiazole;3-methyl-1,2-benzoxazole;3-methyl-1,3-benzoxazol-2-one;1-methyl-2,3-dihydroindole;1-methylimidazo[1,5-a]pyridine;3-methyl-2H-indazole;1-methylindole;3-methyl-1H-indole;1-methyl-3H-indol-2-one;toluene.

Molecular Properties

Compound Name3-methyl-1-benzofuran;3-methyl-1,2-benzothiazole;3-methyl-1,2-benzoxazole;3-methyl-1,3-benzoxazol-2-one;1-methyl-2,3-dihydroindole;1-methylimidazo[1,5-a]pyridine;3-methyl-2H-indazole;1-methylindole;3-methyl-1H-indole;1-methyl-3H-indol-2-one;toluene
PubChem CID158625853
Molecular FormulaC92H91N11O5S
Molecular Weight1462.88 g/mol
Exact Mass1461.69
IUPAC Name3-methyl-1-benzofuran;3-methyl-1,2-benzothiazole;3-methyl-1,2-benzoxazole;3-methyl-1,3-benzoxazol-2-one;1-methyl-2,3-dihydroindole;1-methylimidazo[1,5-a]pyridine;3-methyl-2H-indazole;1-methylindole;3-methyl-1H-indole;1-methyl-3H-indol-2-one;toluene
SMILESCN1C(=O)Cc2ccccc21.CN1CCc2ccccc21.Cc1[nH]nc2ccccc12.Cc1c[nH]c2ccccc12.Cc1ccccc1.Cc1coc2ccccc12.Cc1ncn2ccccc12.Cc1noc2ccccc12.Cc1nsc2ccccc12.Cn1c(=O)oc2ccccc21.Cn1ccc2ccccc21
InChIInChI=1S/C9H9NO.C9H11N.2C9H9N.C9H8O.2C8H8N2.C8H7NO2.C8H7NO.C8H7NS.C7H8/c1-10-8-5-3-2-4-7(8)6-9(10)11;2*1-10-7-6-8-4-2-3-5-9(8)10;2*1-7-6-10-9-5-3-2-4-8(7)9;1-7-8-4-2-3-5-10(8)6-9-7;1-6-7-4-2-3-5-8(7)10-9-6;1-9-6-4-2-3-5-7(6)11-8(9)10;2*1-6-7-4-2-3-5-8(7)10-9-6;1-7-5-3-2-4-6-7/h2-5H,6H2,1H3;2-5H,6-7H2,1H3;2-7H,1H3;2-6,10H,1H3;2*2-6H,1H3;2-5H,1H3,(H,9,10);2-5H,1H3;2*2-5H,1H3;2-6H,1H3
InChIKeyHYOUUCDCNGIPPS-UHFFFAOYSA-N
XLogP21.66
TPSA177.45 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds
Heavy Atoms109
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001462.88
LogP ≤ 521.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze 3-methyl-1-benzofuran;3-methyl-1,2-benzothiazole;3-methyl-1,2-benzoxazole;3-methyl-1,3-benzoxazol-2-one;1-methyl-2,3-dihydroindole;1-methylimidazo[1,5-a]pyridine;3-methyl-2H-indazole;1-methylindole;3-methyl-1H-indole;1-methyl-3H-indol-2-one;toluene with MolForge

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Related Compounds

3-tert-butylimidazo[1,2-a]pyridine;ethane;methane;4-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-benzimidazole;7-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzothiophene;3-propan-2-yl-1,2-benzoxazole;7-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;3-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole
CID 157085230
benzene;1-benzothiophene;1,2-benzoxazole;2,3-dihydro-1-benzothiophene;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;(2,2-dimethylpropane);furan;1H-imidazole;1H-indole;morpholine;naphthalene;1,2,4-oxadiazole;1,3,4-oxadiazole;oxane;1,2-oxazole;oxolane;piperazine;piperidine;1H-pyrazole;pyridine;pyrrolidine;1,2-thiazole;1,3-thiazole;thiophene
CID 157153397
1H-benzimidazole;1-benzofuran;1-benzothiophene;1,2-benzoxazole;2,1-benzoxazole;furan;1H-indazole;1H-indole;undecakis(2-methylpropane);1,2-oxazole;1,3-oxazole;2-propan-2-yl-1,3-benzoxazole;1,2,4-thiadiazole
CID 157208846
3aH-benzotriazole;1H-benzimidazole;1-benzofuran;1,2,3-benzothiadiazole;2,1,3-benzothiadiazole;1-benzothiophene;1,2-benzoxazole;1,3-benzoxazole;9H-carbazole;dibenzofuran;2,3-dihydro-1H-pyrrolo[1,2-a]indole;imidazo[1,2-a]pyridine;1H-indazole;bis(1H-indole);hexadecakis(2-methylpropane);quinoline
CID 157265570
1,7-dimethylbenzimidazole;3,4-dimethyl-1-benzofuran;3,4-dimethyl-1,3-benzoxazol-2-one;1,7-dimethyl-2,3-dihydroindole;1,7-dimethylindole;3,4-dimethyl-1H-indole;1,7-dimethylindole-2,3-dione;1,7-dimethyl-3H-indol-2-one;1,3,4-trimethylindazole
CID 157277289
1-benzofuran;1,3-benzothiazole;3H-1,3-benzothiazol-2-one;2H-benzotriazole;3H-1,3-benzoxazol-2-one;2,3-dihydroisoindol-1-one;imidazo[1,2-a]pyridine;1H-indazole;1H-indole;decakis(2-methylpropane);1H-pyrazolo[4,5-b]pyridine
CID 157298590
1,6-dimethylindazole;1,5-dimethylindole;1,6-dimethylindole;2,5-dimethyl-3H-isoindol-1-one;ethane;methane;6-methyl-1H-benzimidazole;5-methyl-1-benzofuran;6-methyl-1-benzofuran;5-methyl-1,2-benzothiazole;6-methyl-1,2-benzothiazole;5-methyl-1-benzothiophene;6-methyl-1-benzothiophene;5-methyl-1,2-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,2-benzoxazole;5-methyl-2,3-dihydro-1H-indene;5-methyl-1H-indazole
CID 157313944
azane;bis(1H-benzimidazole);bis(1-benzofuran);bis(1,2-benzothiazole);bis(1,3-benzothiazole);bis(1-benzothiophene);bis(1,2-benzoxazole);bis(1,3-benzoxazole);octadecakis(2,2-dimethylpropane);ethane;bis(1H-indazole);bis(1H-indole)
CID 157415310
2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;3-tert-butyl-1,2-benzothiazole;2-tert-butyl-1,3-benzoxazole;3-tert-butyl-1,2-benzoxazole;6-tert-butyl-5H-cyclopenta[c]pyridine;2-tert-butylfuro[3,2-c]pyridine;3-tert-butylfuro[3,4-c]pyridine;3-tert-butyl-2H-indazole;2-tert-butylpyrrolo[3,4-c]pyridine;2-tert-butylthieno[3,2-c]pyridine;3-tert-butylthieno[3,4-c]pyridine
CID 157574243
1,7-dimethylbenzimidazole;3,4-dimethyl-1-benzofuran;3,4-dimethyl-1,3-benzoxazol-2-one;1,7-dimethyl-2,3-dihydroindole;3,4-dimethyl-2H-indazole;1,7-dimethylindole;3,4-dimethyl-1H-indole;1,7-dimethylindole-2,3-dione;1,7-dimethylpyrrolo[2,3-d]pyrimidine-2,4-dione
CID 157929331
1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,2-benzoxazole;1,3-benzoxazole;furan;1H-imidazole;1H-indene;3H-indole;1H-isoindole;isoquinoline;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;1H-pyridin-2-one;pyrimidine;1H-pyrrole;quinazoline;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thiophene;2H-triazole
CID 157962839
1H-benzimidazole;1-benzofuran;2-benzofuran;1,3-benzothiazole;2,1-benzothiazole;1-benzothiophene;2,1,3-benzoxadiazole;1,2-benzoxazole;1,3-benzoxazole;1H-indazole;1H-indole
CID 157994332

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-benzofuran;3-methyl-1,2-benzothiazole;3-methyl-1,2-benzoxazole;3-methyl-1,3-benzoxazol-2-one;1-methyl-2,3-dihydroindole;1-methylimidazo[1,5-a]pyridine;3-methyl-2H-indazole;1-methylindole;3-methyl-1H-indole;1-methyl-3H-indol-2-one;toluene?
The IUPAC name of 3-methyl-1-benzofuran;3-methyl-1,2-benzothiazole;3-methyl-1,2-benzoxazole;3-methyl-1,3-benzoxazol-2-one;1-methyl-2,3-dihydroindole;1-methylimidazo[1,5-a]pyridine;3-methyl-2H-indazole;1-methylindole;3-methyl-1H-indole;1-methyl-3H-indol-2-one;toluene (CID 158625853) is 3-methyl-1-benzofuran;3-methyl-1,2-benzothiazole;3-methyl-1,2-benzoxazole;3-methyl-1,3-benzoxazol-2-one;1-methyl-2,3-dihydroindole;1-methylimidazo[1,5-a]pyridine;3-methyl-2H-indazole;1-methylindole;3-methyl-1H-indole;1-methyl-3H-indol-2-one;toluene.
What is the SMILES notation for 3-methyl-1-benzofuran;3-methyl-1,2-benzothiazole;3-methyl-1,2-benzoxazole;3-methyl-1,3-benzoxazol-2-one;1-methyl-2,3-dihydroindole;1-methylimidazo[1,5-a]pyridine;3-methyl-2H-indazole;1-methylindole;3-methyl-1H-indole;1-methyl-3H-indol-2-one;toluene?
The canonical SMILES for 3-methyl-1-benzofuran;3-methyl-1,2-benzothiazole;3-methyl-1,2-benzoxazole;3-methyl-1,3-benzoxazol-2-one;1-methyl-2,3-dihydroindole;1-methylimidazo[1,5-a]pyridine;3-methyl-2H-indazole;1-methylindole;3-methyl-1H-indole;1-methyl-3H-indol-2-one;toluene is CN1C(=O)Cc2ccccc21.CN1CCc2ccccc21.Cc1[nH]nc2ccccc12.Cc1c[nH]c2ccccc12.Cc1ccccc1.Cc1coc2ccccc12.Cc1ncn2ccccc12.Cc1noc2ccccc12.Cc1nsc2ccccc12.Cn1c(=O)oc2ccccc21.Cn1ccc2ccccc21.
What is the InChIKey of 3-methyl-1-benzofuran;3-methyl-1,2-benzothiazole;3-methyl-1,2-benzoxazole;3-methyl-1,3-benzoxazol-2-one;1-methyl-2,3-dihydroindole;1-methylimidazo[1,5-a]pyridine;3-methyl-2H-indazole;1-methylindole;3-methyl-1H-indole;1-methyl-3H-indol-2-one;toluene?
The InChIKey is HYOUUCDCNGIPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO.C9H11N.2C9H9N.C9H8O.2C8H8N2.C8H7NO2.C8H7NO.C8H7NS.C7H8/c1-10-8-5-3-2-4-7(8)6-9(10)11;2*1-10-7-6-8-4-2-3-5-9(8)10;2*1-7-6-10-9-5-3-2-4-8(7)9;1-7-8-4-2-3-5-10(8)6-9-7;1-6-7-4-2-3-5-8(7)10-9-6;1-9-6-4-2-3-5-7(6)11-8(9)10;2*1-6-7-4-2-3-5-8(7)10-9-6;1-7-5-3-2-4-6-7/h2-5H,6H2,1H3;2-5H,6-7H2,1H3;2-7H,1H3;2-6,10H,1H3;2*2-6H,1H3;2-5H,1H3,(H,9,10);2-5H,1H3;2*2-5H,1H3;2-6H,1H3.
What are the key properties of 3-methyl-1-benzofuran;3-methyl-1,2-benzothiazole;3-methyl-1,2-benzoxazole;3-methyl-1,3-benzoxazol-2-one;1-methyl-2,3-dihydroindole;1-methylimidazo[1,5-a]pyridine;3-methyl-2H-indazole;1-methylindole;3-methyl-1H-indole;1-methyl-3H-indol-2-one;toluene?
3-methyl-1-benzofuran;3-methyl-1,2-benzothiazole;3-methyl-1,2-benzoxazole;3-methyl-1,3-benzoxazol-2-one;1-methyl-2,3-dihydroindole;1-methylimidazo[1,5-a]pyridine;3-methyl-2H-indazole;1-methylindole;3-methyl-1H-indole;1-methyl-3H-indol-2-one;toluene has a molecular weight of 1462.88 g/mol, XLogP of 21.66, 0 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-benzofuran;3-methyl-1,2-benzothiazole;3-methyl-1,2-benzoxazole;3-methyl-1,3-benzoxazol-2-one;1-methyl-2,3-dihydroindole;1-methylimidazo[1,5-a]pyridine;3-methyl-2H-indazole;1-methylindole;3-methyl-1H-indole;1-methyl-3H-indol-2-one;toluene is sourced from PubChem (CID 158625853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).