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;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

C137H120F19N35OS3 — CID 159485163

IUPAC4,6-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;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
SMILESCc1c(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.Cc1ccc2cn[nH]c2c1F.Cc1ccc2cnn(C)c2c1.Cc1ccc2n[nH]nc2c1.Cc1ccc2n[nH]nc2c1F.Cc1ccc2ncn(C)c2c1.Cc1ccc2ncsc2c1F.Cc1ccc2nnn(C)c2c1
InChIInChI=1S/C9H6F2S.2C9H9FN2.2C9H10N2.2C8H6F2N2.C8H5F2NO.C8H5F2NS.C8H8FN3.C8H7FN2.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;1-5-2-3-6-4-10-11-8(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;2-4H,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)
InChIKeyLXMIIFOEGTZWJC-UHFFFAOYSA-N
MW2729.87 g/mol
LogP33.96
Rot. Bonds

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;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;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 159485163) has the molecular formula C137H120F19N35OS3 and a molecular weight of 2729.87 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;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 Name4,6-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;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 CID159485163
Molecular FormulaC137H120F19N35OS3
Molecular Weight2729.87 g/mol
Exact Mass2727.93
IUPAC Name4,6-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;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
SMILESCc1c(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.Cc1ccc2cn[nH]c2c1F.Cc1ccc2cnn(C)c2c1.Cc1ccc2n[nH]nc2c1.Cc1ccc2n[nH]nc2c1F.Cc1ccc2ncn(C)c2c1.Cc1ccc2ncsc2c1F.Cc1ccc2nnn(C)c2c1
InChIInChI=1S/C9H6F2S.2C9H9FN2.2C9H10N2.2C8H6F2N2.C8H5F2NO.C8H5F2NS.C8H8FN3.C8H7FN2.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;1-5-2-3-6-4-10-11-8(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;2-4H,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)
InChIKeyLXMIIFOEGTZWJC-UHFFFAOYSA-N
XLogP33.96
TPSA436.83 Ų
H-Bond Donors7
H-Bond Acceptors32
Rotatable Bonds
Heavy Atoms195
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002729.87
LogP ≤ 533.96
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1032

Analyze 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;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 with MolForge

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Related Compounds

6-methyl-1H-benzimidazole;5-methyl-2,1,3-benzothiadiazole;5-methyl-1,3-benzothiazole;6-methyl-1,3-benzothiazole;bis(5-methyl-2H-benzotriazole);6-methyl-1,3-benzoxazole;5-methyl-2,3-dihydro-1H-indole;5-methyl-1H-indazol-3-amine;5-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-2-(trifluoromethyl)-1H-benzimidazole
CID 160297141
N-(1,5-dimethylbenzimidazol-2-yl)acetamide;N-(1,5-dimethylbenzimidazol-2-yl)methanesulfonamide;1,3-dimethyl-5-(trifluoromethyl)benzene;5-fluoro-2-methyl-1-benzofuran;5-fluoro-2-methyl-1-benzothiophene;5-fluoro-2-methyl-1H-indole;N-(6-methyl-1H-benzimidazol-2-yl)acetamide;N-(6-methyl-1H-benzimidazol-2-yl)methanesulfonamide;6-methyl-1,2-benzothiazole;N-(5-methyl-1,3-benzothiazol-2-yl)acetamide;N-(5-methyl-1,3-benzothiazol-2-yl)methanesulfonamide;3-methyl-1,2-benzoxazole;6-methyl-1,2-benzoxazole;N-(5-methyl-1,3-benzoxazol-2-yl)acetamide;N-(5-methyl-1,3-benzoxazol-2-yl)methanesulfonamide;3-methyl-2H-indazole;6-methyl-1H-indazole;2-methylthieno[2,3-b]pyridine
CID 161731893
2-[4-(1H-benzimidazol-2-yl)-2-(1,3-benzothiazol-2-yl)-3-(1H-indazol-3-yl)-6-(2H-isoindol-1-yl)phenyl]-1,3-benzoxazole
CID 141209815
2-[6-(1,2,3-benzothiadiazol-4-yl)-3-(1,3-benzothiazol-2-yl)-4-(1H-benzotriazol-4-yl)-7-(1H-imidazol-2-yl)-5-(1H-indazol-3-yl)quinolin-2-yl]-1,3-benzoxazole
CID 141279408
1H-benzimidazole;1,3-benzothiazole;1,3-benzoxazole;cinnoline;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;2,3-dihydro-1H-indazole;2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;ethane;1H-imidazo[4,5-b]pyridine;1H-indazole;quinazoline;quinoline;quinoxaline;1,2,3,4-tetrahydrobenzo[g]quinoline;1,2,3,4-tetrahydrocinnoline;1,2,3,4-tetrahydroquinazoline;bis(1,2,3,4-tetrahydroquinoline)
CID 157055905
10-(2-propan-2-yl-1H-imidazol-5-yl)-5-(2-propan-2-yl-3H-pyrrol-4-yl)-1H-phenanthro[9,10-c]pyrazole;10-(2-propan-2-yl-1H-imidazol-5-yl)-5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[9,10-d][1,2]oxazole;10-(2-propan-2-yl-1H-imidazol-5-yl)-5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[9,10-d][1,3]oxazole;10-(2-propan-2-yl-1H-imidazol-5-yl)-5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[9,10-d][1,2]thiazole;10-(2-propan-2-yl-1H-imidazol-5-yl)-5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[9,10-d][1,3]thiazole;2-propan-2-yl-5-[5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[10,9-b]thiophen-10-yl]-1H-imidazole
CID 157068316
1-benzofuran;1,3-benzothiazole;1-benzothiophene;2H-benzotriazole;1,3-benzoxazole;ethane;imidazo[1,2-a]pyridine;1H-indazole;1H-indole;pyrazolo[1,5-a]pyridine;1H-pyrazolo[3,4-b]pyrazine;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;1H-pyrazolo[4,5-c]pyridine;1H-pyrazolo[5,4-c]pyridine;1H-pyrazolo[3,4-d]pyrimidine;1H-pyrazolo[4,3-d]pyrimidine;5H-pyrrolo[2,3-b]pyrazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-triazolo[4,5-b]pyrazine;2H-triazolo[4,5-b]pyridine;2H-triazolo[4,5-c]pyridine;2H-triazolo[4,5-d]pyrimidine
CID 157069338
1H-benzimidazole;1,3-benzothiazole;1-benzothiophene;2-(benzotriazol-2-yl)phenol;1,3-benzoxazole;2-phenylbenzotriazole
CID 157100571
6-tert-butyl-2-propan-2-yl-1,3-benzothiazole;6-tert-butyl-2-propan-2-yl-1,3-benzoxazole;6-tert-butyl-2-propan-2-yl-1H-indole;7-tert-butyl-2-propan-2-yl-1H-indole;3,6-ditert-butyl-1-benzofuran;3,6-ditert-butyl-1-benzothiophene;3,6-ditert-butyl-1H-indole;1,4-di(propan-2-yl)cyclohexane;1,4-di(propan-2-yl)cyclohexene;1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1H-imidazole;1,3-di(propan-2-yl)imidazolidin-2-one;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)thiophene;3,5-di(propan-2-yl)-1H-1,2,4-triazole
CID 157120445
5-propan-2-yl-2H-benzimidazole;6-propan-2-yl-1H-benzimidazole;bis(5-propan-2-yl-2,1,3-benzothiadiazole);bis(6-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzoxazole);bis(6-propan-2-yl-2,3-dihydro-1-benzothiophene);7-propan-2-yl-2,3-dihydro-[1,2,4]triazolo[4,3-a]pyridine;bis(6-propan-2-ylimidazo[1,2-a]pyridine);6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;5-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylpyrazolo[1,5-a]pyrimidine;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 157160459
4-methyl-1H-benzimidazole;6-methyl-1H-benzimidazole;4-methyl-1-benzofuran;7-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;5-methyl-1,3-benzothiazole;6-methyl-1,3-benzothiazole;7-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;4-methyl-1-benzothiophene;5-methyl-1-benzothiophene;6-methyl-1-benzothiophene;4-methyl-1,3-benzoxazole;3-methyl-2H-indazole;bis(4-methyl-1H-indazole);bis(5-methyl-1H-indazole);bis(6-methyl-1H-indazole);6-methyl-1H-indole;2-methylthieno[2,3-b]pyridine;4-methylthieno[2,3-c]pyridine
CID 157221558
4-methyl-2-propan-2-yl-1,3-benzothiazole;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;7-methyl-4-propan-2-ylpyrrolo[2,3-d]pyrimidine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;4-propan-2-yl-7H-cyclopenta[d]pyrimidine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;7-propan-2-yl-1H-pyrazolo[4,5-d]pyrimidine;4-propan-2-yl-7H-pyrrolo[3,4-d]pyrimidine
CID 157264548

Frequently Asked Questions

What is the IUPAC name of 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;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?
The IUPAC name of 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;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 (CID 159485163) 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;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.
What is the SMILES notation for 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;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?
The canonical SMILES for 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;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 is 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.Cc1ccc2cn[nH]c2c1F.Cc1ccc2cnn(C)c2c1.Cc1ccc2n[nH]nc2c1.Cc1ccc2n[nH]nc2c1F.Cc1ccc2ncn(C)c2c1.Cc1ccc2ncsc2c1F.Cc1ccc2nnn(C)c2c1.
What is the InChIKey of 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;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?
The InChIKey is LXMIIFOEGTZWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2S.2C9H9FN2.2C9H10N2.2C8H6F2N2.C8H5F2NO.C8H5F2NS.C8H8FN3.C8H7FN2.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;1-5-2-3-6-4-10-11-8(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;2-4H,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).
What are the key properties of 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;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;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 has a molecular weight of 2729.87 g/mol, XLogP of 33.96, 0 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 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;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 is sourced from PubChem (CID 159485163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).