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
C209H346N14O6S4 — CID 157313944
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC1,6-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
SMILESC.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc2[nH]ncc2c1.Cc1ccc2c(c1)CCC2.Cc1ccc2c(c1)CN(C)C2=O.Cc1ccc2c(ccn2C)c1.Cc1ccc2ccn(C)c2c1.Cc1ccc2ccoc2c1.Cc1ccc2ccsc2c1.Cc1ccc2cnn(C)c2c1.Cc1ccc2cnoc2c1.Cc1ccc2cnsc2c1.Cc1ccc2nc[nH]c2c1.Cc1ccc2occc2c1.Cc1ccc2ocnc2c1.Cc1ccc2oncc2c1.Cc1ccc2sccc2c1.Cc1ccc2sncc2c1
InChIInChI=1S/C10H11NO.2C10H11N.C10H12.C9H10N2.2C9H8O.2C9H8S.2C8H8N2.3C8H7NO.2C8H7NS.32C2H6.4CH4/c1-7-3-4-9-8(5-7)6-11(2)10(9)12;1-8-3-4-10-9(7-8)5-6-11(10)2;1-8-3-4-9-5-6-11(2)10(9)7-8;1-8-5-6-9-3-2-4-10(9)7-8;1-7-3-4-8-6-10-11(2)9(8)5-7;1-7-2-3-9-8(6-7)4-5-10-9;1-7-2-3-8-4-5-10-9(8)6-7;1-7-2-3-9-8(6-7)4-5-10-9;1-7-2-3-8-4-5-10-9(8)6-7;1-6-2-3-8-7(4-6)5-9-10-8;1-6-2-3-7-8(4-6)10-5-9-7;1-6-2-3-8-7(4-6)9-5-10-8;1-6-2-3-8-7(4-6)5-9-10-8;1-6-2-3-7-5-9-10-8(7)4-6;1-6-2-3-8-7(4-6)5-9-10-8;1-6-2-3-7-5-9-10-8(7)4-6;32*1-2;;;;/h3-5H,6H2,1-2H3;2*3-7H,1-2H3;5-7H,2-4H2,1H3;3-6H,1-2H3;4*2-6H,1H3;2*2-5H,1H3,(H,9,10);5*2-5H,1H3;32*1-2H3;4*1H4
InChIKeyBDJDVXSYYBKSJA-UHFFFAOYSA-N
MW3279.43 g/mol
LogP73.56
Rot. Bonds
About 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
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 (PubChem CID 157313944) has the molecular formula C209H346N14O6S4 and a molecular weight of 3279.43 g/mol. Its IUPAC name is 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.
Molecular Properties
| Compound Name | 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 |
|---|---|
| PubChem CID | 157313944 |
| Molecular Formula | C209H346N14O6S4 |
| Molecular Weight | 3279.43 g/mol |
| Exact Mass | 3276.61 |
| IUPAC Name | 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 |
| SMILES | C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc2[nH]ncc2c1.Cc1ccc2c(c1)CCC2.Cc1ccc2c(c1)CN(C)C2=O.Cc1ccc2c(ccn2C)c1.Cc1ccc2ccn(C)c2c1.Cc1ccc2ccoc2c1.Cc1ccc2ccsc2c1.Cc1ccc2cnn(C)c2c1.Cc1ccc2cnoc2c1.Cc1ccc2cnsc2c1.Cc1ccc2nc[nH]c2c1.Cc1ccc2occc2c1.Cc1ccc2ocnc2c1.Cc1ccc2oncc2c1.Cc1ccc2sccc2c1.Cc1ccc2sncc2c1 |
| InChI | InChI=1S/C10H11NO.2C10H11N.C10H12.C9H10N2.2C9H8O.2C9H8S.2C8H8N2.3C8H7NO.2C8H7NS.32C2H6.4CH4/c1-7-3-4-9-8(5-7)6-11(2)10(9)12;1-8-3-4-10-9(7-8)5-6-11(10)2;1-8-3-4-9-5-6-11(2)10(9)7-8;1-8-5-6-9-3-2-4-10(9)7-8;1-7-3-4-8-6-10-11(2)9(8)5-7;1-7-2-3-9-8(6-7)4-5-10-9;1-7-2-3-8-4-5-10-9(8)6-7;1-7-2-3-9-8(6-7)4-5-10-9;1-7-2-3-8-4-5-10-9(8)6-7;1-6-2-3-8-7(4-6)5-9-10-8;1-6-2-3-7-8(4-6)10-5-9-7;1-6-2-3-8-7(4-6)9-5-10-8;1-6-2-3-8-7(4-6)5-9-10-8;1-6-2-3-7-5-9-10-8(7)4-6;1-6-2-3-8-7(4-6)5-9-10-8;1-6-2-3-7-5-9-10-8(7)4-6;32*1-2;;;;/h3-5H,6H2,1-2H3;2*3-7H,1-2H3;5-7H,2-4H2,1H3;3-6H,1-2H3;4*2-6H,1H3;2*2-5H,1H3,(H,9,10);5*2-5H,1H3;32*1-2H3;4*1H4 |
| InChIKey | BDJDVXSYYBKSJA-UHFFFAOYSA-N |
| XLogP | 73.56 |
| TPSA | 235.50 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | |
| Heavy Atoms | 233 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3279.43 |
| LogP ≤ 5 | 73.56 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 21 |
Frequently Asked Questions
What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc2[nH]ncc2c1.Cc1ccc2c(c1)CCC2.Cc1ccc2c(c1)CN(C)C2=O.Cc1ccc2c(ccn2C)c1.Cc1ccc2ccn(C)c2c1.Cc1ccc2ccoc2c1.Cc1ccc2ccsc2c1.Cc1ccc2cnn(C)c2c1.Cc1ccc2cnoc2c1.Cc1ccc2cnsc2c1.Cc1ccc2nc[nH]c2c1.Cc1ccc2occc2c1.Cc1ccc2ocnc2c1.Cc1ccc2oncc2c1.Cc1ccc2sccc2c1.Cc1ccc2sncc2c1.
What is the InChIKey of 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?
The InChIKey is BDJDVXSYYBKSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO.2C10H11N.C10H12.C9H10N2.2C9H8O.2C9H8S.2C8H8N2.3C8H7NO.2C8H7NS.32C2H6.4CH4/c1-7-3-4-9-8(5-7)6-11(2)10(9)12;1-8-3-4-10-9(7-8)5-6-11(10)2;1-8-3-4-9-5-6-11(2)10(9)7-8;1-8-5-6-9-3-2-4-10(9)7-8;1-7-3-4-8-6-10-11(2)9(8)5-7;1-7-2-3-9-8(6-7)4-5-10-9;1-7-2-3-8-4-5-10-9(8)6-7;1-7-2-3-9-8(6-7)4-5-10-9;1-7-2-3-8-4-5-10-9(8)6-7;1-6-2-3-8-7(4-6)5-9-10-8;1-6-2-3-7-8(4-6)10-5-9-7;1-6-2-3-8-7(4-6)9-5-10-8;1-6-2-3-8-7(4-6)5-9-10-8;1-6-2-3-7-5-9-10-8(7)4-6;1-6-2-3-8-7(4-6)5-9-10-8;1-6-2-3-7-5-9-10-8(7)4-6;32*1-2;;;;/h3-5H,6H2,1-2H3;2*3-7H,1-2H3;5-7H,2-4H2,1H3;3-6H,1-2H3;4*2-6H,1H3;2*2-5H,1H3,(H,9,10);5*2-5H,1H3;32*1-2H3;4*1H4.
What are the key properties of 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?
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 has a molecular weight of 3279.43 g/mol, XLogP of 73.56, 0 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157313944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 157313944 — identifiers, structure, computed properties (public domain)
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