2-chloro-1-methylbenzimidazole;N,1-dimethylbenzimidazol-2-amine;2,3-dimethylindazole;2,3-dimethyl-1H-indole;2-ethoxy-1-methylbenzimidazole;2-methoxy-1-methylbenzimidazole;1-methylbenzimidazol-2-amine;3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;3-methylimidazo[1,2-a]pyridine;3-methylimidazo[1,5-a]pyridine;3-methyl-2H-indazole;3-methyl-1H-indole;3-methylpyrazolo[1,5-a]pyridine;3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole;2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine;3-methyl-4,5,6,7-tetrahydro-2H-indazole;3-methyl-2,4,5,7-tetrahydropyrano[3,4-c]pyrazole;2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-methyl-2,4,5,7-tetrahydrothiopyrano[3,4-c]pyrazole;3-methyl-2,4,5,7-tetrahydrothiopyrano[3,4-c]pyrazole 6,6-dioxide;1-methyl-2-(trifluoromethyl)benzimidazole
C196H240ClF3N48O5S2 — CID 159863556
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC2-chloro-1-methylbenzimidazole;N,1-dimethylbenzimidazol-2-amine;2,3-dimethylindazole;2,3-dimethyl-1H-indole;2-ethoxy-1-methylbenzimidazole;2-methoxy-1-methylbenzimidazole;1-methylbenzimidazol-2-amine;3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;3-methylimidazo[1,2-a]pyridine;3-methylimidazo[1,5-a]pyridine;3-methyl-2H-indazole;3-methyl-1H-indole;3-methylpyrazolo[1,5-a]pyridine;3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole;2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine;3-methyl-4,5,6,7-tetrahydro-2H-indazole;3-methyl-2,4,5,7-tetrahydropyrano[3,4-c]pyrazole;2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-methyl-2,4,5,7-tetrahydrothiopyrano[3,4-c]pyrazole;3-methyl-2,4,5,7-tetrahydrothiopyrano[3,4-c]pyrazole 6,6-dioxide;1-methyl-2-(trifluoromethyl)benzimidazole
SMILESCCOc1nc2ccccc2n1C.CNc1nc2ccccc2n1C.COc1nc2ccccc2n1C.Cc1[nH]c2ccccc2c1C.Cc1[nH]nc2c1CCC2.Cc1[nH]nc2c1CCCC2.Cc1[nH]nc2c1CCOC2.Cc1[nH]nc2c1CCS(=O)(=O)C2.Cc1[nH]nc2c1CCSC2.Cc1[nH]nc2ccccc12.Cc1c2ccccc2nn1C.Cc1c[nH]c2ccccc12.Cc1cc2n(n1)CCCC2.Cc1cn2c(n1)CCCC2.Cc1cnc2ccccn12.Cc1cnc2n1CCCC2.Cc1cnn2c1CCC2.Cc1cnn2c1CCCC2.Cc1cnn2ccccc12.Cc1ncc2ccccn12.Cc1ncc2n1CCCC2.Cn1c(C(F)(F)F)nc2ccccc21.Cn1c(Cl)nc2ccccc21.Cn1c(N)nc2ccccc21
InChIInChI=1S/C10H12N2O.C10H11N.C9H7F3N2.C9H11N3.C9H10N2O.C9H10N2.C9H9N.C8H7ClN2.C8H9N3.C8H12N2.C8H8N2.2C8H12N2.C8H8N2.C8H12N2.C8H8N2.2C8H12N2.C8H8N2.C7H10N2O2S.C7H10N2O.C7H10N2S.2C7H10N2/c1-3-13-10-11-8-6-4-5-7-9(8)12(10)2;1-7-8(2)11-10-6-4-3-5-9(7)10;1-14-7-5-3-2-4-6(7)13-8(14)9(10,11)12;1-10-9-11-7-5-3-4-6-8(7)12(9)2;1-11-8-6-4-3-5-7(8)10-9(11)12-2;1-7-8-5-3-4-6-9(8)10-11(7)2;1-7-6-10-9-5-3-2-4-8(7)9;2*1-11-7-5-3-2-4-6(7)10-8(11)9;2*1-7-9-6-8-4-2-3-5-10(7)8;1-7-6-10-5-3-2-4-8(10)9-7;2*1-7-6-9-8-4-2-3-5-10(7)8;2*1-7-6-9-10-5-3-2-4-8(7)10;1-7-6-8-4-2-3-5-10(8)9-7;2*1-6-7-4-2-3-5-8(7)10-9-6;1-5-6-2-3-12(10,11)4-7(6)9-8-5;2*1-5-6-2-3-10-4-7(6)9-8-5;1-6-5-8-9-4-2-3-7(6)9;1-5-6-3-2-4-7(6)9-8-5/h4-7H,3H2,1-2H3;3-6,11H,1-2H3;2-5H,1H3;3-6H,1-2H3,(H,10,11);3-6H,1-2H3;3-6H,1-2H3;2-6,10H,1H3;2-5H,1H3;2-5H,1H3,(H2,9,10);6H,2-5H2,1H3;2-6H,1H3;2*6H,2-5H2,1H3;2-6H,1H3;6H,2-5H2,1H3;2-6H,1H3;6H,2-5H2,1H3;2-5H2,1H3,(H,9,10);2-5H,1H3,(H,9,10);2-4H2,1H3,(H,8,9);2*2-4H2,1H3,(H,8,9);5H,2-4H2,1H3;2-4H2,1H3,(H,8,9)
InChIKeyNRLHXWKSTZZZGA-UHFFFAOYSA-N
MW3504.99 g/mol
LogP39.15
Rot. Bonds4
About 2-chloro-1-methylbenzimidazole;N,1-dimethylbenzimidazol-2-amine;2,3-dimethylindazole;2,3-dimethyl-1H-indole;2-ethoxy-1-methylbenzimidazole;2-methoxy-1-methylbenzimidazole;1-methylbenzimidazol-2-amine;3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;3-methylimidazo[1,2-a]pyridine;3-methylimidazo[1,5-a]pyridine;3-methyl-2H-indazole;3-methyl-1H-indole;3-methylpyrazolo[1,5-a]pyridine;3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole;2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine;3-methyl-4,5,6,7-tetrahydro-2H-indazole;3-methyl-2,4,5,7-tetrahydropyrano[3,4-c]pyrazole;2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-methyl-2,4,5,7-tetrahydrothiopyrano[3,4-c]pyrazole;3-methyl-2,4,5,7-tetrahydrothiopyrano[3,4-c]pyrazole 6,6-dioxide;1-methyl-2-(trifluoromethyl)benzimidazole
2-chloro-1-methylbenzimidazole;N,1-dimethylbenzimidazol-2-amine;2,3-dimethylindazole;2,3-dimethyl-1H-indole;2-ethoxy-1-methylbenzimidazole;2-methoxy-1-methylbenzimidazole;1-methylbenzimidazol-2-amine;3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;3-methylimidazo[1,2-a]pyridine;3-methylimidazo[1,5-a]pyridine;3-methyl-2H-indazole;3-methyl-1H-indole;3-methylpyrazolo[1,5-a]pyridine;3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole;2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine;3-methyl-4,5,6,7-tetrahydro-2H-indazole;3-methyl-2,4,5,7-tetrahydropyrano[3,4-c]pyrazole;2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-methyl-2,4,5,7-tetrahydrothiopyrano[3,4-c]pyrazole;3-methyl-2,4,5,7-tetrahydrothiopyrano[3,4-c]pyrazole 6,6-dioxide;1-methyl-2-(trifluoromethyl)benzimidazole (PubChem CID 159863556) has the molecular formula C196H240ClF3N48O5S2 and a molecular weight of 3504.99 g/mol. Its IUPAC name is 2-chloro-1-methylbenzimidazole;N,1-dimethylbenzimidazol-2-amine;2,3-dimethylindazole;2,3-dimethyl-1H-indole;2-ethoxy-1-methylbenzimidazole;2-methoxy-1-methylbenzimidazole;1-methylbenzimidazol-2-amine;3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;3-methylimidazo[1,2-a]pyridine;3-methylimidazo[1,5-a]pyridine;3-methyl-2H-indazole;3-methyl-1H-indole;3-methylpyrazolo[1,5-a]pyridine;3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole;2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine;3-methyl-4,5,6,7-tetrahydro-2H-indazole;3-methyl-2,4,5,7-tetrahydropyrano[3,4-c]pyrazole;2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-methyl-2,4,5,7-tetrahydrothiopyrano[3,4-c]pyrazole;3-methyl-2,4,5,7-tetrahydrothiopyrano[3,4-c]pyrazole 6,6-dioxide;1-methyl-2-(trifluoromethyl)benzimidazole.
Molecular Properties
| Compound Name | 2-chloro-1-methylbenzimidazole;N,1-dimethylbenzimidazol-2-amine;2,3-dimethylindazole;2,3-dimethyl-1H-indole;2-ethoxy-1-methylbenzimidazole;2-methoxy-1-methylbenzimidazole;1-methylbenzimidazol-2-amine;3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;3-methylimidazo[1,2-a]pyridine;3-methylimidazo[1,5-a]pyridine;3-methyl-2H-indazole;3-methyl-1H-indole;3-methylpyrazolo[1,5-a]pyridine;3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole;2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine;3-methyl-4,5,6,7-tetrahydro-2H-indazole;3-methyl-2,4,5,7-tetrahydropyrano[3,4-c]pyrazole;2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-methyl-2,4,5,7-tetrahydrothiopyrano[3,4-c]pyrazole;3-methyl-2,4,5,7-tetrahydrothiopyrano[3,4-c]pyrazole 6,6-dioxide;1-methyl-2-(trifluoromethyl)benzimidazole |
|---|---|
| PubChem CID | 159863556 |
| Molecular Formula | C196H240ClF3N48O5S2 |
| Molecular Weight | 3504.99 g/mol |
| Exact Mass | 3501.91 |
| IUPAC Name | 2-chloro-1-methylbenzimidazole;N,1-dimethylbenzimidazol-2-amine;2,3-dimethylindazole;2,3-dimethyl-1H-indole;2-ethoxy-1-methylbenzimidazole;2-methoxy-1-methylbenzimidazole;1-methylbenzimidazol-2-amine;3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;3-methylimidazo[1,2-a]pyridine;3-methylimidazo[1,5-a]pyridine;3-methyl-2H-indazole;3-methyl-1H-indole;3-methylpyrazolo[1,5-a]pyridine;3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole;2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine;3-methyl-4,5,6,7-tetrahydro-2H-indazole;3-methyl-2,4,5,7-tetrahydropyrano[3,4-c]pyrazole;2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-methyl-2,4,5,7-tetrahydrothiopyrano[3,4-c]pyrazole;3-methyl-2,4,5,7-tetrahydrothiopyrano[3,4-c]pyrazole 6,6-dioxide;1-methyl-2-(trifluoromethyl)benzimidazole |
| SMILES | CCOc1nc2ccccc2n1C.CNc1nc2ccccc2n1C.COc1nc2ccccc2n1C.Cc1[nH]c2ccccc2c1C.Cc1[nH]nc2c1CCC2.Cc1[nH]nc2c1CCCC2.Cc1[nH]nc2c1CCOC2.Cc1[nH]nc2c1CCS(=O)(=O)C2.Cc1[nH]nc2c1CCSC2.Cc1[nH]nc2ccccc12.Cc1c2ccccc2nn1C.Cc1c[nH]c2ccccc12.Cc1cc2n(n1)CCCC2.Cc1cn2c(n1)CCCC2.Cc1cnc2ccccn12.Cc1cnc2n1CCCC2.Cc1cnn2c1CCC2.Cc1cnn2c1CCCC2.Cc1cnn2ccccc12.Cc1ncc2ccccn12.Cc1ncc2n1CCCC2.Cn1c(C(F)(F)F)nc2ccccc21.Cn1c(Cl)nc2ccccc21.Cn1c(N)nc2ccccc21 |
| InChI | InChI=1S/C10H12N2O.C10H11N.C9H7F3N2.C9H11N3.C9H10N2O.C9H10N2.C9H9N.C8H7ClN2.C8H9N3.C8H12N2.C8H8N2.2C8H12N2.C8H8N2.C8H12N2.C8H8N2.2C8H12N2.C8H8N2.C7H10N2O2S.C7H10N2O.C7H10N2S.2C7H10N2/c1-3-13-10-11-8-6-4-5-7-9(8)12(10)2;1-7-8(2)11-10-6-4-3-5-9(7)10;1-14-7-5-3-2-4-6(7)13-8(14)9(10,11)12;1-10-9-11-7-5-3-4-6-8(7)12(9)2;1-11-8-6-4-3-5-7(8)10-9(11)12-2;1-7-8-5-3-4-6-9(8)10-11(7)2;1-7-6-10-9-5-3-2-4-8(7)9;2*1-11-7-5-3-2-4-6(7)10-8(11)9;2*1-7-9-6-8-4-2-3-5-10(7)8;1-7-6-10-5-3-2-4-8(10)9-7;2*1-7-6-9-8-4-2-3-5-10(7)8;2*1-7-6-9-10-5-3-2-4-8(7)10;1-7-6-8-4-2-3-5-10(8)9-7;2*1-6-7-4-2-3-5-8(7)10-9-6;1-5-6-2-3-12(10,11)4-7(6)9-8-5;2*1-5-6-2-3-10-4-7(6)9-8-5;1-6-5-8-9-4-2-3-7(6)9;1-5-6-3-2-4-7(6)9-8-5/h4-7H,3H2,1-2H3;3-6,11H,1-2H3;2-5H,1H3;3-6H,1-2H3,(H,10,11);3-6H,1-2H3;3-6H,1-2H3;2-6,10H,1H3;2-5H,1H3;2-5H,1H3,(H2,9,10);6H,2-5H2,1H3;2-6H,1H3;2*6H,2-5H2,1H3;2-6H,1H3;6H,2-5H2,1H3;2-6H,1H3;6H,2-5H2,1H3;2-5H2,1H3,(H,9,10);2-5H,1H3,(H,9,10);2-4H2,1H3,(H,8,9);2*2-4H2,1H3,(H,8,9);5H,2-4H2,1H3;2-4H2,1H3,(H,8,9) |
| InChIKey | NRLHXWKSTZZZGA-UHFFFAOYSA-N |
| XLogP | 39.15 |
| TPSA | 587.10 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 46 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 255 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3504.99 |
| LogP ≤ 5 | 39.15 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 46 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of 2-chloro-1-methylbenzimidazole;N,1-dimethylbenzimidazol-2-amine;2,3-dimethylindazole;2,3-dimethyl-1H-indole;2-ethoxy-1-methylbenzimidazole;2-methoxy-1-methylbenzimidazole;1-methylbenzimidazol-2-amine;3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;3-methylimidazo[1,2-a]pyridine;3-methylimidazo[1,5-a]pyridine;3-methyl-2H-indazole;3-methyl-1H-indole;3-methylpyrazolo[1,5-a]pyridine;3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole;2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine;3-methyl-4,5,6,7-tetrahydro-2H-indazole;3-methyl-2,4,5,7-tetrahydropyrano[3,4-c]pyrazole;2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-methyl-2,4,5,7-tetrahydrothiopyrano[3,4-c]pyrazole;3-methyl-2,4,5,7-tetrahydrothiopyrano[3,4-c]pyrazole 6,6-dioxide;1-methyl-2-(trifluoromethyl)benzimidazole?
The IUPAC name of 2-chloro-1-methylbenzimidazole;N,1-dimethylbenzimidazol-2-amine;2,3-dimethylindazole;2,3-dimethyl-1H-indole;2-ethoxy-1-methylbenzimidazole;2-methoxy-1-methylbenzimidazole;1-methylbenzimidazol-2-amine;3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;3-methylimidazo[1,2-a]pyridine;3-methylimidazo[1,5-a]pyridine;3-methyl-2H-indazole;3-methyl-1H-indole;3-methylpyrazolo[1,5-a]pyridine;3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole;2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine;3-methyl-4,5,6,7-tetrahydro-2H-indazole;3-methyl-2,4,5,7-tetrahydropyrano[3,4-c]pyrazole;2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-methyl-2,4,5,7-tetrahydrothiopyrano[3,4-c]pyrazole;3-methyl-2,4,5,7-tetrahydrothiopyrano[3,4-c]pyrazole 6,6-dioxide;1-methyl-2-(trifluoromethyl)benzimidazole (CID 159863556) is 2-chloro-1-methylbenzimidazole;N,1-dimethylbenzimidazol-2-amine;2,3-dimethylindazole;2,3-dimethyl-1H-indole;2-ethoxy-1-methylbenzimidazole;2-methoxy-1-methylbenzimidazole;1-methylbenzimidazol-2-amine;3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;3-methylimidazo[1,2-a]pyridine;3-methylimidazo[1,5-a]pyridine;3-methyl-2H-indazole;3-methyl-1H-indole;3-methylpyrazolo[1,5-a]pyridine;3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole;2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine;3-methyl-4,5,6,7-tetrahydro-2H-indazole;3-methyl-2,4,5,7-tetrahydropyrano[3,4-c]pyrazole;2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-methyl-2,4,5,7-tetrahydrothiopyrano[3,4-c]pyrazole;3-methyl-2,4,5,7-tetrahydrothiopyrano[3,4-c]pyrazole 6,6-dioxide;1-methyl-2-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 2-chloro-1-methylbenzimidazole;N,1-dimethylbenzimidazol-2-amine;2,3-dimethylindazole;2,3-dimethyl-1H-indole;2-ethoxy-1-methylbenzimidazole;2-methoxy-1-methylbenzimidazole;1-methylbenzimidazol-2-amine;3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;3-methylimidazo[1,2-a]pyridine;3-methylimidazo[1,5-a]pyridine;3-methyl-2H-indazole;3-methyl-1H-indole;3-methylpyrazolo[1,5-a]pyridine;3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole;2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine;3-methyl-4,5,6,7-tetrahydro-2H-indazole;3-methyl-2,4,5,7-tetrahydropyrano[3,4-c]pyrazole;2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-methyl-2,4,5,7-tetrahydrothiopyrano[3,4-c]pyrazole;3-methyl-2,4,5,7-tetrahydrothiopyrano[3,4-c]pyrazole 6,6-dioxide;1-methyl-2-(trifluoromethyl)benzimidazole?
The canonical SMILES for 2-chloro-1-methylbenzimidazole;N,1-dimethylbenzimidazol-2-amine;2,3-dimethylindazole;2,3-dimethyl-1H-indole;2-ethoxy-1-methylbenzimidazole;2-methoxy-1-methylbenzimidazole;1-methylbenzimidazol-2-amine;3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;3-methylimidazo[1,2-a]pyridine;3-methylimidazo[1,5-a]pyridine;3-methyl-2H-indazole;3-methyl-1H-indole;3-methylpyrazolo[1,5-a]pyridine;3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole;2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine;3-methyl-4,5,6,7-tetrahydro-2H-indazole;3-methyl-2,4,5,7-tetrahydropyrano[3,4-c]pyrazole;2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-methyl-2,4,5,7-tetrahydrothiopyrano[3,4-c]pyrazole;3-methyl-2,4,5,7-tetrahydrothiopyrano[3,4-c]pyrazole 6,6-dioxide;1-methyl-2-(trifluoromethyl)benzimidazole is CCOc1nc2ccccc2n1C.CNc1nc2ccccc2n1C.COc1nc2ccccc2n1C.Cc1[nH]c2ccccc2c1C.Cc1[nH]nc2c1CCC2.Cc1[nH]nc2c1CCCC2.Cc1[nH]nc2c1CCOC2.Cc1[nH]nc2c1CCS(=O)(=O)C2.Cc1[nH]nc2c1CCSC2.Cc1[nH]nc2ccccc12.Cc1c2ccccc2nn1C.Cc1c[nH]c2ccccc12.Cc1cc2n(n1)CCCC2.Cc1cn2c(n1)CCCC2.Cc1cnc2ccccn12.Cc1cnc2n1CCCC2.Cc1cnn2c1CCC2.Cc1cnn2c1CCCC2.Cc1cnn2ccccc12.Cc1ncc2ccccn12.Cc1ncc2n1CCCC2.Cn1c(C(F)(F)F)nc2ccccc21.Cn1c(Cl)nc2ccccc21.Cn1c(N)nc2ccccc21.
What is the InChIKey of 2-chloro-1-methylbenzimidazole;N,1-dimethylbenzimidazol-2-amine;2,3-dimethylindazole;2,3-dimethyl-1H-indole;2-ethoxy-1-methylbenzimidazole;2-methoxy-1-methylbenzimidazole;1-methylbenzimidazol-2-amine;3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;3-methylimidazo[1,2-a]pyridine;3-methylimidazo[1,5-a]pyridine;3-methyl-2H-indazole;3-methyl-1H-indole;3-methylpyrazolo[1,5-a]pyridine;3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole;2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine;3-methyl-4,5,6,7-tetrahydro-2H-indazole;3-methyl-2,4,5,7-tetrahydropyrano[3,4-c]pyrazole;2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-methyl-2,4,5,7-tetrahydrothiopyrano[3,4-c]pyrazole;3-methyl-2,4,5,7-tetrahydrothiopyrano[3,4-c]pyrazole 6,6-dioxide;1-methyl-2-(trifluoromethyl)benzimidazole?
The InChIKey is NRLHXWKSTZZZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O.C10H11N.C9H7F3N2.C9H11N3.C9H10N2O.C9H10N2.C9H9N.C8H7ClN2.C8H9N3.C8H12N2.C8H8N2.2C8H12N2.C8H8N2.C8H12N2.C8H8N2.2C8H12N2.C8H8N2.C7H10N2O2S.C7H10N2O.C7H10N2S.2C7H10N2/c1-3-13-10-11-8-6-4-5-7-9(8)12(10)2;1-7-8(2)11-10-6-4-3-5-9(7)10;1-14-7-5-3-2-4-6(7)13-8(14)9(10,11)12;1-10-9-11-7-5-3-4-6-8(7)12(9)2;1-11-8-6-4-3-5-7(8)10-9(11)12-2;1-7-8-5-3-4-6-9(8)10-11(7)2;1-7-6-10-9-5-3-2-4-8(7)9;2*1-11-7-5-3-2-4-6(7)10-8(11)9;2*1-7-9-6-8-4-2-3-5-10(7)8;1-7-6-10-5-3-2-4-8(10)9-7;2*1-7-6-9-8-4-2-3-5-10(7)8;2*1-7-6-9-10-5-3-2-4-8(7)10;1-7-6-8-4-2-3-5-10(8)9-7;2*1-6-7-4-2-3-5-8(7)10-9-6;1-5-6-2-3-12(10,11)4-7(6)9-8-5;2*1-5-6-2-3-10-4-7(6)9-8-5;1-6-5-8-9-4-2-3-7(6)9;1-5-6-3-2-4-7(6)9-8-5/h4-7H,3H2,1-2H3;3-6,11H,1-2H3;2-5H,1H3;3-6H,1-2H3,(H,10,11);3-6H,1-2H3;3-6H,1-2H3;2-6,10H,1H3;2-5H,1H3;2-5H,1H3,(H2,9,10);6H,2-5H2,1H3;2-6H,1H3;2*6H,2-5H2,1H3;2-6H,1H3;6H,2-5H2,1H3;2-6H,1H3;6H,2-5H2,1H3;2-5H2,1H3,(H,9,10);2-5H,1H3,(H,9,10);2-4H2,1H3,(H,8,9);2*2-4H2,1H3,(H,8,9);5H,2-4H2,1H3;2-4H2,1H3,(H,8,9).
What are the key properties of 2-chloro-1-methylbenzimidazole;N,1-dimethylbenzimidazol-2-amine;2,3-dimethylindazole;2,3-dimethyl-1H-indole;2-ethoxy-1-methylbenzimidazole;2-methoxy-1-methylbenzimidazole;1-methylbenzimidazol-2-amine;3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;3-methylimidazo[1,2-a]pyridine;3-methylimidazo[1,5-a]pyridine;3-methyl-2H-indazole;3-methyl-1H-indole;3-methylpyrazolo[1,5-a]pyridine;3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole;2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine;3-methyl-4,5,6,7-tetrahydro-2H-indazole;3-methyl-2,4,5,7-tetrahydropyrano[3,4-c]pyrazole;2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-methyl-2,4,5,7-tetrahydrothiopyrano[3,4-c]pyrazole;3-methyl-2,4,5,7-tetrahydrothiopyrano[3,4-c]pyrazole 6,6-dioxide;1-methyl-2-(trifluoromethyl)benzimidazole?
2-chloro-1-methylbenzimidazole;N,1-dimethylbenzimidazol-2-amine;2,3-dimethylindazole;2,3-dimethyl-1H-indole;2-ethoxy-1-methylbenzimidazole;2-methoxy-1-methylbenzimidazole;1-methylbenzimidazol-2-amine;3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;3-methylimidazo[1,2-a]pyridine;3-methylimidazo[1,5-a]pyridine;3-methyl-2H-indazole;3-methyl-1H-indole;3-methylpyrazolo[1,5-a]pyridine;3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole;2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine;3-methyl-4,5,6,7-tetrahydro-2H-indazole;3-methyl-2,4,5,7-tetrahydropyrano[3,4-c]pyrazole;2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-methyl-2,4,5,7-tetrahydrothiopyrano[3,4-c]pyrazole;3-methyl-2,4,5,7-tetrahydrothiopyrano[3,4-c]pyrazole 6,6-dioxide;1-methyl-2-(trifluoromethyl)benzimidazole has a molecular weight of 3504.99 g/mol, XLogP of 39.15, 4 rotatable bonds, 10 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-methylbenzimidazole;N,1-dimethylbenzimidazol-2-amine;2,3-dimethylindazole;2,3-dimethyl-1H-indole;2-ethoxy-1-methylbenzimidazole;2-methoxy-1-methylbenzimidazole;1-methylbenzimidazol-2-amine;3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;3-methylimidazo[1,2-a]pyridine;3-methylimidazo[1,5-a]pyridine;3-methyl-2H-indazole;3-methyl-1H-indole;3-methylpyrazolo[1,5-a]pyridine;3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole;2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine;3-methyl-4,5,6,7-tetrahydro-2H-indazole;3-methyl-2,4,5,7-tetrahydropyrano[3,4-c]pyrazole;2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-methyl-2,4,5,7-tetrahydrothiopyrano[3,4-c]pyrazole;3-methyl-2,4,5,7-tetrahydrothiopyrano[3,4-c]pyrazole 6,6-dioxide;1-methyl-2-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 159863556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 159863556 — identifiers, structure, computed properties (public domain)
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