4,6-difluoro-5-methyl-1H-benzimidazole;5,7-difluoro-6-methyl-1,3-benzothiazole;5,7-difluoro-6-methyl-1-benzothiophene;4,6-difluoro-5-methyl-2H-benzotriazole;5,7-difluoro-6-methyl-1,3-benzoxazole;5,7-difluoro-6-methyl-1H-indazole;1,6-dimethylbenzimidazole;1,6-dimethylbenzotriazole;1,6-dimethylindazole;5-fluoro-1,6-dimethylbenzimidazole;5-fluoro-1,6-dimethylbenzotriazole;5-fluoro-1,6-dimethylindazole;4-fluoro-5-methyl-1H-benzimidazole;7-fluoro-6-methyl-1,3-benzothiazole;4-fluoro-5-methyl-2H-benzotriazole;5-fluoro-6-methyl-2H-benzotriazole;7-fluoro-6-methyl-1H-indazole;5-methyl-2H-benzotriazole
C145H127F20N37OS3 — CID 159314163
Data last refreshed: (MolForge compound catalog, from PubChem)
About 4,6-difluoro-5-methyl-1H-benzimidazole;5,7-difluoro-6-methyl-1,3-benzothiazole;5,7-difluoro-6-methyl-1-benzothiophene;4,6-difluoro-5-methyl-2H-benzotriazole;5,7-difluoro-6-methyl-1,3-benzoxazole;5,7-difluoro-6-methyl-1H-indazole;1,6-dimethylbenzimidazole;1,6-dimethylbenzotriazole;1,6-dimethylindazole;5-fluoro-1,6-dimethylbenzimidazole;5-fluoro-1,6-dimethylbenzotriazole;5-fluoro-1,6-dimethylindazole;4-fluoro-5-methyl-1H-benzimidazole;7-fluoro-6-methyl-1,3-benzothiazole;4-fluoro-5-methyl-2H-benzotriazole;5-fluoro-6-methyl-2H-benzotriazole;7-fluoro-6-methyl-1H-indazole;5-methyl-2H-benzotriazole
4,6-difluoro-5-methyl-1H-benzimidazole;5,7-difluoro-6-methyl-1,3-benzothiazole;5,7-difluoro-6-methyl-1-benzothiophene;4,6-difluoro-5-methyl-2H-benzotriazole;5,7-difluoro-6-methyl-1,3-benzoxazole;5,7-difluoro-6-methyl-1H-indazole;1,6-dimethylbenzimidazole;1,6-dimethylbenzotriazole;1,6-dimethylindazole;5-fluoro-1,6-dimethylbenzimidazole;5-fluoro-1,6-dimethylbenzotriazole;5-fluoro-1,6-dimethylindazole;4-fluoro-5-methyl-1H-benzimidazole;7-fluoro-6-methyl-1,3-benzothiazole;4-fluoro-5-methyl-2H-benzotriazole;5-fluoro-6-methyl-2H-benzotriazole;7-fluoro-6-methyl-1H-indazole;5-methyl-2H-benzotriazole (PubChem CID 159314163) has the molecular formula C145H127F20N37OS3 and a molecular weight of 2880.03 g/mol. Its IUPAC name is 4,6-difluoro-5-methyl-1H-benzimidazole;5,7-difluoro-6-methyl-1,3-benzothiazole;5,7-difluoro-6-methyl-1-benzothiophene;4,6-difluoro-5-methyl-2H-benzotriazole;5,7-difluoro-6-methyl-1,3-benzoxazole;5,7-difluoro-6-methyl-1H-indazole;1,6-dimethylbenzimidazole;1,6-dimethylbenzotriazole;1,6-dimethylindazole;5-fluoro-1,6-dimethylbenzimidazole;5-fluoro-1,6-dimethylbenzotriazole;5-fluoro-1,6-dimethylindazole;4-fluoro-5-methyl-1H-benzimidazole;7-fluoro-6-methyl-1,3-benzothiazole;4-fluoro-5-methyl-2H-benzotriazole;5-fluoro-6-methyl-2H-benzotriazole;7-fluoro-6-methyl-1H-indazole;5-methyl-2H-benzotriazole.
Molecular Properties
| Compound Name | 4,6-difluoro-5-methyl-1H-benzimidazole;5,7-difluoro-6-methyl-1,3-benzothiazole;5,7-difluoro-6-methyl-1-benzothiophene;4,6-difluoro-5-methyl-2H-benzotriazole;5,7-difluoro-6-methyl-1,3-benzoxazole;5,7-difluoro-6-methyl-1H-indazole;1,6-dimethylbenzimidazole;1,6-dimethylbenzotriazole;1,6-dimethylindazole;5-fluoro-1,6-dimethylbenzimidazole;5-fluoro-1,6-dimethylbenzotriazole;5-fluoro-1,6-dimethylindazole;4-fluoro-5-methyl-1H-benzimidazole;7-fluoro-6-methyl-1,3-benzothiazole;4-fluoro-5-methyl-2H-benzotriazole;5-fluoro-6-methyl-2H-benzotriazole;7-fluoro-6-methyl-1H-indazole;5-methyl-2H-benzotriazole |
|---|---|
| PubChem CID | 159314163 |
| Molecular Formula | C145H127F20N37OS3 |
| Molecular Weight | 2880.03 g/mol |
| Exact Mass | 2877.99 |
| IUPAC Name | 4,6-difluoro-5-methyl-1H-benzimidazole;5,7-difluoro-6-methyl-1,3-benzothiazole;5,7-difluoro-6-methyl-1-benzothiophene;4,6-difluoro-5-methyl-2H-benzotriazole;5,7-difluoro-6-methyl-1,3-benzoxazole;5,7-difluoro-6-methyl-1H-indazole;1,6-dimethylbenzimidazole;1,6-dimethylbenzotriazole;1,6-dimethylindazole;5-fluoro-1,6-dimethylbenzimidazole;5-fluoro-1,6-dimethylbenzotriazole;5-fluoro-1,6-dimethylindazole;4-fluoro-5-methyl-1H-benzimidazole;7-fluoro-6-methyl-1,3-benzothiazole;4-fluoro-5-methyl-2H-benzotriazole;5-fluoro-6-methyl-2H-benzotriazole;7-fluoro-6-methyl-1H-indazole;5-methyl-2H-benzotriazole |
| SMILES | Cc1c(F)cc2[nH]cnc2c1F.Cc1c(F)cc2ccsc2c1F.Cc1c(F)cc2cn[nH]c2c1F.Cc1c(F)cc2n[nH]nc2c1F.Cc1c(F)cc2ncoc2c1F.Cc1c(F)cc2ncsc2c1F.Cc1cc2c(cc1F)ncn2C.Cc1cc2c(cc1F)nnn2C.Cc1cc2c(cnn2C)cc1F.Cc1cc2n[nH]nc2cc1F.Cc1ccc2[nH]cnc2c1F.Cc1ccc2cn[nH]c2c1F.Cc1ccc2cnn(C)c2c1.Cc1ccc2n[nH]nc2c1.Cc1ccc2n[nH]nc2c1F.Cc1ccc2ncn(C)c2c1.Cc1ccc2ncsc2c1F.Cc1ccc2nnn(C)c2c1 |
| InChI | InChI=1S/C9H6F2S.2C9H9FN2.2C9H10N2.2C8H6F2N2.C8H5F2NO.C8H5F2NS.C8H8FN3.2C8H7FN2.C8H6FNS.C8H9N3.C7H5F2N3.2C7H6FN3.C7H7N3/c1-5-7(10)4-6-2-3-12-9(6)8(5)11;1-6-3-9-8(4-7(6)10)11-5-12(9)2;1-6-3-9-7(4-8(6)10)5-11-12(9)2;1-7-3-4-8-9(5-7)11(2)6-10-8;1-7-3-4-8-6-10-11(2)9(8)5-7;1-4-5(9)2-6-8(7(4)10)12-3-11-6;1-4-6(9)2-5-3-11-12-8(5)7(4)10;2*1-4-5(9)2-6-8(7(4)10)12-3-11-6;1-5-3-8-7(4-6(5)9)10-11-12(8)2;1-5-2-3-6-8(7(5)9)11-4-10-6;1-5-2-3-6-4-10-11-8(6)7(5)9;1-5-2-3-6-8(7(5)9)11-4-10-6;1-6-3-4-7-8(5-6)11(2)10-9-7;1-3-4(8)2-5-7(6(3)9)11-12-10-5;1-4-2-6-7(3-5(4)8)10-11-9-6;1-4-2-3-5-7(6(4)8)10-11-9-5;1-5-2-3-6-7(4-5)9-10-8-6/h2-4H,1H3;2*3-5H,1-2H3;2*3-6H,1-2H3;2*2-3H,1H3,(H,11,12);2*2-3H,1H3;3-4H,1-2H3;2*2-4H,1H3,(H,10,11);2-4H,1H3;3-5H,1-2H3;2H,1H3,(H,10,11,12);2*2-3H,1H3,(H,9,10,11);2-4H,1H3,(H,8,9,10) |
| InChIKey | LCXTVWQSROZUJJ-UHFFFAOYSA-N |
| XLogP | 35.97 |
| TPSA | 465.51 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 33 |
| Rotatable Bonds | |
| Heavy Atoms | 206 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2880.03 |
| LogP ≤ 5 | 35.97 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 33 |
Frequently Asked Questions
Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.
Sources
- PubChem CID 159314163 — identifiers, structure, computed properties (public domain)
How this page is built: methodology · editorial policy & corrections.
For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.