1H-benzimidazole;1,3-benzothiazole;1-benzothiophene;6-chloroimidazo[1,2-a]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;1-(3,4-dimethylphenyl)pyrazole;3,5-dimethylpyridine;1-(2-fluorophenyl)pyrazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;2-methoxypyridine;3-methoxypyridine;2-methyl-1H-imidazole;bis(1-methylindazole);5-methyl-3-phenyl-1,2,4-oxadiazole;2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1-methyl-5-(trifluoromethyl)pyrazole;1,6-naphthyridine;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrido[4,3-b][1,6]naphthyridine;bis(pyrimidine);1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;quinoline;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thiophene;1,3,5-triazine;2-(trifluoromethyl)imidazo[1,2-a]pyridine;5-(trifluoromethyl)-1H-pyrazole

C305H292ClF10N81O7S10 — CID 158592718

IUPAC1H-benzimidazole;1,3-benzothiazole;1-benzothiophene;6-chloroimidazo[1,2-a]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;1-(3,4-dimethylphenyl)pyrazole;3,5-dimethylpyridine;1-(2-fluorophenyl)pyrazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;2-methoxypyridine;3-methoxypyridine;2-methyl-1H-imidazole;bis(1-methylindazole);5-methyl-3-phenyl-1,2,4-oxadiazole;2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1-methyl-5-(trifluoromethyl)pyrazole;1,6-naphthyridine;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrido[4,3-b][1,6]naphthyridine;bis(pyrimidine);1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;quinoline;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thiophene;1,3,5-triazine;2-(trifluoromethyl)imidazo[1,2-a]pyridine;5-(trifluoromethyl)-1H-pyrazole
SMILESC1=Cc2nccn2C1.CCCn1cccn1.COc1ccccn1.COc1cccnc1.Cc1ccc(-n2cccn2)cc1C.Cc1cn(C)cn1.Cc1cncc(C)c1.Cc1cncn1C.Cc1nc(-c2ccccc2)no1.Cc1ncc[nH]1.Cc1ncccn1.Cc1nccn1C.Clc1ccc2nccn2c1.Cn1ccc2ccncc21.Cn1ncc2ccccc21.Cn1ncc2ccccc21.Cn1nccc1C(F)(F)F.FC(F)(F)c1ccn[nH]1.FC(F)(F)c1cn2ccccc2n1.Fc1ccccc1-n1cccn1.c1c[nH]cn1.c1cc2[nH]ccc2cn1.c1cc2cc[nH]c2cn1.c1cc2ccoc2cn1.c1cc2ccsc2cn1.c1cc2nc3ccncc3cc2cn1.c1cc2sccc2cn1.c1cc2sccc2s1.c1cc[nH]c1.c1ccc2[nH]cnc2c1.c1ccc2[nH]ncc2c1.c1ccc2ncccc2c1.c1ccc2sccc2c1.c1ccc2scnc2c1.c1ccn2ccnc2c1.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cnc2[nH]ccc2c1.c1cnc2ccncc2c1.c1cnc2sccc2c1.c1cnccn1.c1cncnc1.c1cncnc1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1.c1ncncn1
InChIInChI=1S/C11H7N3.C11H12N2.C9H7FN2.C9H8N2O.C9H7N.C8H5F3N2.3C8H8N2.C8H6N2.C8H6S.C7H5ClN2.6C7H6N2.C7H5NO.4C7H5NS.C7H9N.C6H6N2.C6H10N2.2C6H7NO.C6H4S2.C5H5F3N2.3C5H8N2.C5H6N2.C5H5N.C4H3F3N2.C4H6N2.4C4H4N2.C4H5N.C4H4O.C4H4S.C3H3N3.2C3H4N2.2C3H3NO.2C3H3NS/c1-3-12-6-8-5-9-7-13-4-2-11(9)14-10(1)8;1-9-4-5-11(8-10(9)2)13-7-3-6-12-13;10-8-4-1-2-5-9(8)12-7-3-6-11-12;1-7-10-9(11-12-7)8-5-3-2-4-6-8;1-2-6-9-8(4-1)5-3-7-10-9;9-8(10,11)6-5-13-4-2-1-3-7(13)12-6;1-10-5-3-7-2-4-9-6-8(7)10;2*1-10-8-5-3-2-4-7(8)6-9-10;1-2-7-6-9-5-3-8(7)10-4-1;1-2-4-8-7(3-1)5-6-9-8;8-6-1-2-7-9-3-4-10(7)5-6;1-4-9-7-2-3-8-5-6(1)7;1-3-8-5-7-6(1)2-4-9-7;1-2-6-3-5-9-7(6)8-4-1;1-2-5-9-6-4-8-7(9)3-1;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;1-3-8-5-7-6(1)2-4-9-7;1-3-8-5-6-2-4-9-7(1)6;1-3-8-5-7-6(1)2-4-9-7;1-2-6-3-5-9-7(6)8-4-1;1-2-4-7-6(3-1)8-5-9-7;1-6-3-7(2)5-8-4-6;1-2-6-7-3-5-8(6)4-1;1-2-5-8-6-3-4-7-8;1-8-6-3-2-4-7-5-6;1-8-6-4-2-3-5-7-6;1-3-7-6-2-4-8-5(1)6;1-10-4(2-3-9-10)5(6,7)8;1-5-3-7(2)4-6-5;1-5-3-6-4-7(5)2;1-5-6-3-4-7(5)2;1-5-6-3-2-4-7-5;1-2-4-6-5-3-1;5-4(6,7)3-1-2-8-9-3;1-4-5-2-3-6-4;1-2-6-4-3-5-1;2*1-2-5-4-6-3-1;1-2-4-6-5-3-1;3*1-2-4-5-3-1;1-4-2-6-3-5-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1/h1-7H;3-8H,1-2H3;1-7H;2-6H,1H3;1-7H;1-5H;3*2-6H,1H3;1-6H;1-6H;1-5H;2*1-5,9H;1-5H,(H,8,9);1-6H;2*1-5H,(H,8,9);5*1-5H;3-5H,1-2H3;1-3,5H,4H2;3-4,6H,2,5H2,1H3;2*2-5H,1H3;1-4H;2-3H,1H3;3*3-4H,1-2H3;2-4H,1H3;1-5H;1-2H,(H,8,9);2-3H,1H3,(H,5,6);4*1-4H;1-5H;2*1-4H;1-3H;2*1-3H,(H,4,5);4*1-3H
InChIKeyHUQIHSCHKPOCHG-UHFFFAOYSA-N
MW5750.35 g/mol
LogP71.67
Rot. Bonds7

About 1H-benzimidazole;1,3-benzothiazole;1-benzothiophene;6-chloroimidazo[1,2-a]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;1-(3,4-dimethylphenyl)pyrazole;3,5-dimethylpyridine;1-(2-fluorophenyl)pyrazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;2-methoxypyridine;3-methoxypyridine;2-methyl-1H-imidazole;bis(1-methylindazole);5-methyl-3-phenyl-1,2,4-oxadiazole;2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1-methyl-5-(trifluoromethyl)pyrazole;1,6-naphthyridine;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrido[4,3-b][1,6]naphthyridine;bis(pyrimidine);1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;quinoline;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thiophene;1,3,5-triazine;2-(trifluoromethyl)imidazo[1,2-a]pyridine;5-(trifluoromethyl)-1H-pyrazole

1H-benzimidazole;1,3-benzothiazole;1-benzothiophene;6-chloroimidazo[1,2-a]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;1-(3,4-dimethylphenyl)pyrazole;3,5-dimethylpyridine;1-(2-fluorophenyl)pyrazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;2-methoxypyridine;3-methoxypyridine;2-methyl-1H-imidazole;bis(1-methylindazole);5-methyl-3-phenyl-1,2,4-oxadiazole;2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1-methyl-5-(trifluoromethyl)pyrazole;1,6-naphthyridine;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrido[4,3-b][1,6]naphthyridine;bis(pyrimidine);1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;quinoline;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thiophene;1,3,5-triazine;2-(trifluoromethyl)imidazo[1,2-a]pyridine;5-(trifluoromethyl)-1H-pyrazole (PubChem CID 158592718) has the molecular formula C305H292ClF10N81O7S10 and a molecular weight of 5750.35 g/mol. Its IUPAC name is 1H-benzimidazole;1,3-benzothiazole;1-benzothiophene;6-chloroimidazo[1,2-a]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;1-(3,4-dimethylphenyl)pyrazole;3,5-dimethylpyridine;1-(2-fluorophenyl)pyrazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;2-methoxypyridine;3-methoxypyridine;2-methyl-1H-imidazole;bis(1-methylindazole);5-methyl-3-phenyl-1,2,4-oxadiazole;2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1-methyl-5-(trifluoromethyl)pyrazole;1,6-naphthyridine;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrido[4,3-b][1,6]naphthyridine;bis(pyrimidine);1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;quinoline;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thiophene;1,3,5-triazine;2-(trifluoromethyl)imidazo[1,2-a]pyridine;5-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name1H-benzimidazole;1,3-benzothiazole;1-benzothiophene;6-chloroimidazo[1,2-a]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;1-(3,4-dimethylphenyl)pyrazole;3,5-dimethylpyridine;1-(2-fluorophenyl)pyrazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;2-methoxypyridine;3-methoxypyridine;2-methyl-1H-imidazole;bis(1-methylindazole);5-methyl-3-phenyl-1,2,4-oxadiazole;2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1-methyl-5-(trifluoromethyl)pyrazole;1,6-naphthyridine;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrido[4,3-b][1,6]naphthyridine;bis(pyrimidine);1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;quinoline;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thiophene;1,3,5-triazine;2-(trifluoromethyl)imidazo[1,2-a]pyridine;5-(trifluoromethyl)-1H-pyrazole
PubChem CID158592718
Molecular FormulaC305H292ClF10N81O7S10
Molecular Weight5750.35 g/mol
Exact Mass5745.17
IUPAC Name1H-benzimidazole;1,3-benzothiazole;1-benzothiophene;6-chloroimidazo[1,2-a]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;1-(3,4-dimethylphenyl)pyrazole;3,5-dimethylpyridine;1-(2-fluorophenyl)pyrazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;2-methoxypyridine;3-methoxypyridine;2-methyl-1H-imidazole;bis(1-methylindazole);5-methyl-3-phenyl-1,2,4-oxadiazole;2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1-methyl-5-(trifluoromethyl)pyrazole;1,6-naphthyridine;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrido[4,3-b][1,6]naphthyridine;bis(pyrimidine);1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;quinoline;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thiophene;1,3,5-triazine;2-(trifluoromethyl)imidazo[1,2-a]pyridine;5-(trifluoromethyl)-1H-pyrazole
SMILESC1=Cc2nccn2C1.CCCn1cccn1.COc1ccccn1.COc1cccnc1.Cc1ccc(-n2cccn2)cc1C.Cc1cn(C)cn1.Cc1cncc(C)c1.Cc1cncn1C.Cc1nc(-c2ccccc2)no1.Cc1ncc[nH]1.Cc1ncccn1.Cc1nccn1C.Clc1ccc2nccn2c1.Cn1ccc2ccncc21.Cn1ncc2ccccc21.Cn1ncc2ccccc21.Cn1nccc1C(F)(F)F.FC(F)(F)c1ccn[nH]1.FC(F)(F)c1cn2ccccc2n1.Fc1ccccc1-n1cccn1.c1c[nH]cn1.c1cc2[nH]ccc2cn1.c1cc2cc[nH]c2cn1.c1cc2ccoc2cn1.c1cc2ccsc2cn1.c1cc2nc3ccncc3cc2cn1.c1cc2sccc2cn1.c1cc2sccc2s1.c1cc[nH]c1.c1ccc2[nH]cnc2c1.c1ccc2[nH]ncc2c1.c1ccc2ncccc2c1.c1ccc2sccc2c1.c1ccc2scnc2c1.c1ccn2ccnc2c1.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cnc2[nH]ccc2c1.c1cnc2ccncc2c1.c1cnc2sccc2c1.c1cnccn1.c1cncnc1.c1cncnc1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1.c1ncncn1
InChIInChI=1S/C11H7N3.C11H12N2.C9H7FN2.C9H8N2O.C9H7N.C8H5F3N2.3C8H8N2.C8H6N2.C8H6S.C7H5ClN2.6C7H6N2.C7H5NO.4C7H5NS.C7H9N.C6H6N2.C6H10N2.2C6H7NO.C6H4S2.C5H5F3N2.3C5H8N2.C5H6N2.C5H5N.C4H3F3N2.C4H6N2.4C4H4N2.C4H5N.C4H4O.C4H4S.C3H3N3.2C3H4N2.2C3H3NO.2C3H3NS/c1-3-12-6-8-5-9-7-13-4-2-11(9)14-10(1)8;1-9-4-5-11(8-10(9)2)13-7-3-6-12-13;10-8-4-1-2-5-9(8)12-7-3-6-11-12;1-7-10-9(11-12-7)8-5-3-2-4-6-8;1-2-6-9-8(4-1)5-3-7-10-9;9-8(10,11)6-5-13-4-2-1-3-7(13)12-6;1-10-5-3-7-2-4-9-6-8(7)10;2*1-10-8-5-3-2-4-7(8)6-9-10;1-2-7-6-9-5-3-8(7)10-4-1;1-2-4-8-7(3-1)5-6-9-8;8-6-1-2-7-9-3-4-10(7)5-6;1-4-9-7-2-3-8-5-6(1)7;1-3-8-5-7-6(1)2-4-9-7;1-2-6-3-5-9-7(6)8-4-1;1-2-5-9-6-4-8-7(9)3-1;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;1-3-8-5-7-6(1)2-4-9-7;1-3-8-5-6-2-4-9-7(1)6;1-3-8-5-7-6(1)2-4-9-7;1-2-6-3-5-9-7(6)8-4-1;1-2-4-7-6(3-1)8-5-9-7;1-6-3-7(2)5-8-4-6;1-2-6-7-3-5-8(6)4-1;1-2-5-8-6-3-4-7-8;1-8-6-3-2-4-7-5-6;1-8-6-4-2-3-5-7-6;1-3-7-6-2-4-8-5(1)6;1-10-4(2-3-9-10)5(6,7)8;1-5-3-7(2)4-6-5;1-5-3-6-4-7(5)2;1-5-6-3-4-7(5)2;1-5-6-3-2-4-7-5;1-2-4-6-5-3-1;5-4(6,7)3-1-2-8-9-3;1-4-5-2-3-6-4;1-2-6-4-3-5-1;2*1-2-5-4-6-3-1;1-2-4-6-5-3-1;3*1-2-4-5-3-1;1-4-2-6-3-5-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1/h1-7H;3-8H,1-2H3;1-7H;2-6H,1H3;1-7H;1-5H;3*2-6H,1H3;1-6H;1-6H;1-5H;2*1-5,9H;1-5H,(H,8,9);1-6H;2*1-5H,(H,8,9);5*1-5H;3-5H,1-2H3;1-3,5H,4H2;3-4,6H,2,5H2,1H3;2*2-5H,1H3;1-4H;2-3H,1H3;3*3-4H,1-2H3;2-4H,1H3;1-5H;1-2H,(H,8,9);2-3H,1H3,(H,5,6);4*1-4H;1-5H;2*1-4H;1-3H;2*1-3H,(H,4,5);4*1-3H
InChIKeyHUQIHSCHKPOCHG-UHFFFAOYSA-N
XLogP71.67
TPSA1044.25 Ų
H-Bond Donors10
H-Bond Acceptors88
Rotatable Bonds7
Heavy Atoms414
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005750.35
LogP ≤ 571.67
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1088

Analyze 1H-benzimidazole;1,3-benzothiazole;1-benzothiophene;6-chloroimidazo[1,2-a]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;1-(3,4-dimethylphenyl)pyrazole;3,5-dimethylpyridine;1-(2-fluorophenyl)pyrazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;2-methoxypyridine;3-methoxypyridine;2-methyl-1H-imidazole;bis(1-methylindazole);5-methyl-3-phenyl-1,2,4-oxadiazole;2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1-methyl-5-(trifluoromethyl)pyrazole;1,6-naphthyridine;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrido[4,3-b][1,6]naphthyridine;bis(pyrimidine);1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;quinoline;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thiophene;1,3,5-triazine;2-(trifluoromethyl)imidazo[1,2-a]pyridine;5-(trifluoromethyl)-1H-pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazole;1,3-benzothiazole;1-benzothiophene;6-chloroimidazo[1,2-a]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;1-(3,4-dimethylphenyl)pyrazole;3,5-dimethylpyridine;1-(2-fluorophenyl)pyrazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;2-methoxypyridine;3-methoxypyridine;2-methyl-1H-imidazole;bis(1-methylindazole);5-methyl-3-phenyl-1,2,4-oxadiazole;2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1-methyl-5-(trifluoromethyl)pyrazole;1,6-naphthyridine;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrido[4,3-b][1,6]naphthyridine;bis(pyrimidine);1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;quinoline;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thiophene;1,3,5-triazine;2-(trifluoromethyl)imidazo[1,2-a]pyridine;5-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 1H-benzimidazole;1,3-benzothiazole;1-benzothiophene;6-chloroimidazo[1,2-a]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;1-(3,4-dimethylphenyl)pyrazole;3,5-dimethylpyridine;1-(2-fluorophenyl)pyrazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;2-methoxypyridine;3-methoxypyridine;2-methyl-1H-imidazole;bis(1-methylindazole);5-methyl-3-phenyl-1,2,4-oxadiazole;2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1-methyl-5-(trifluoromethyl)pyrazole;1,6-naphthyridine;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrido[4,3-b][1,6]naphthyridine;bis(pyrimidine);1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;quinoline;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thiophene;1,3,5-triazine;2-(trifluoromethyl)imidazo[1,2-a]pyridine;5-(trifluoromethyl)-1H-pyrazole (CID 158592718) is 1H-benzimidazole;1,3-benzothiazole;1-benzothiophene;6-chloroimidazo[1,2-a]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;1-(3,4-dimethylphenyl)pyrazole;3,5-dimethylpyridine;1-(2-fluorophenyl)pyrazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;2-methoxypyridine;3-methoxypyridine;2-methyl-1H-imidazole;bis(1-methylindazole);5-methyl-3-phenyl-1,2,4-oxadiazole;2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1-methyl-5-(trifluoromethyl)pyrazole;1,6-naphthyridine;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrido[4,3-b][1,6]naphthyridine;bis(pyrimidine);1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;quinoline;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thiophene;1,3,5-triazine;2-(trifluoromethyl)imidazo[1,2-a]pyridine;5-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 1H-benzimidazole;1,3-benzothiazole;1-benzothiophene;6-chloroimidazo[1,2-a]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;1-(3,4-dimethylphenyl)pyrazole;3,5-dimethylpyridine;1-(2-fluorophenyl)pyrazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;2-methoxypyridine;3-methoxypyridine;2-methyl-1H-imidazole;bis(1-methylindazole);5-methyl-3-phenyl-1,2,4-oxadiazole;2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1-methyl-5-(trifluoromethyl)pyrazole;1,6-naphthyridine;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrido[4,3-b][1,6]naphthyridine;bis(pyrimidine);1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;quinoline;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thiophene;1,3,5-triazine;2-(trifluoromethyl)imidazo[1,2-a]pyridine;5-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 1H-benzimidazole;1,3-benzothiazole;1-benzothiophene;6-chloroimidazo[1,2-a]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;1-(3,4-dimethylphenyl)pyrazole;3,5-dimethylpyridine;1-(2-fluorophenyl)pyrazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;2-methoxypyridine;3-methoxypyridine;2-methyl-1H-imidazole;bis(1-methylindazole);5-methyl-3-phenyl-1,2,4-oxadiazole;2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1-methyl-5-(trifluoromethyl)pyrazole;1,6-naphthyridine;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrido[4,3-b][1,6]naphthyridine;bis(pyrimidine);1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;quinoline;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thiophene;1,3,5-triazine;2-(trifluoromethyl)imidazo[1,2-a]pyridine;5-(trifluoromethyl)-1H-pyrazole is C1=Cc2nccn2C1.CCCn1cccn1.COc1ccccn1.COc1cccnc1.Cc1ccc(-n2cccn2)cc1C.Cc1cn(C)cn1.Cc1cncc(C)c1.Cc1cncn1C.Cc1nc(-c2ccccc2)no1.Cc1ncc[nH]1.Cc1ncccn1.Cc1nccn1C.Clc1ccc2nccn2c1.Cn1ccc2ccncc21.Cn1ncc2ccccc21.Cn1ncc2ccccc21.Cn1nccc1C(F)(F)F.FC(F)(F)c1ccn[nH]1.FC(F)(F)c1cn2ccccc2n1.Fc1ccccc1-n1cccn1.c1c[nH]cn1.c1cc2[nH]ccc2cn1.c1cc2cc[nH]c2cn1.c1cc2ccoc2cn1.c1cc2ccsc2cn1.c1cc2nc3ccncc3cc2cn1.c1cc2sccc2cn1.c1cc2sccc2s1.c1cc[nH]c1.c1ccc2[nH]cnc2c1.c1ccc2[nH]ncc2c1.c1ccc2ncccc2c1.c1ccc2sccc2c1.c1ccc2scnc2c1.c1ccn2ccnc2c1.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cnc2[nH]ccc2c1.c1cnc2ccncc2c1.c1cnc2sccc2c1.c1cnccn1.c1cncnc1.c1cncnc1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1.c1ncncn1.
What is the InChIKey of 1H-benzimidazole;1,3-benzothiazole;1-benzothiophene;6-chloroimidazo[1,2-a]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;1-(3,4-dimethylphenyl)pyrazole;3,5-dimethylpyridine;1-(2-fluorophenyl)pyrazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;2-methoxypyridine;3-methoxypyridine;2-methyl-1H-imidazole;bis(1-methylindazole);5-methyl-3-phenyl-1,2,4-oxadiazole;2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1-methyl-5-(trifluoromethyl)pyrazole;1,6-naphthyridine;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrido[4,3-b][1,6]naphthyridine;bis(pyrimidine);1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;quinoline;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thiophene;1,3,5-triazine;2-(trifluoromethyl)imidazo[1,2-a]pyridine;5-(trifluoromethyl)-1H-pyrazole?
The InChIKey is HUQIHSCHKPOCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3.C11H12N2.C9H7FN2.C9H8N2O.C9H7N.C8H5F3N2.3C8H8N2.C8H6N2.C8H6S.C7H5ClN2.6C7H6N2.C7H5NO.4C7H5NS.C7H9N.C6H6N2.C6H10N2.2C6H7NO.C6H4S2.C5H5F3N2.3C5H8N2.C5H6N2.C5H5N.C4H3F3N2.C4H6N2.4C4H4N2.C4H5N.C4H4O.C4H4S.C3H3N3.2C3H4N2.2C3H3NO.2C3H3NS/c1-3-12-6-8-5-9-7-13-4-2-11(9)14-10(1)8;1-9-4-5-11(8-10(9)2)13-7-3-6-12-13;10-8-4-1-2-5-9(8)12-7-3-6-11-12;1-7-10-9(11-12-7)8-5-3-2-4-6-8;1-2-6-9-8(4-1)5-3-7-10-9;9-8(10,11)6-5-13-4-2-1-3-7(13)12-6;1-10-5-3-7-2-4-9-6-8(7)10;2*1-10-8-5-3-2-4-7(8)6-9-10;1-2-7-6-9-5-3-8(7)10-4-1;1-2-4-8-7(3-1)5-6-9-8;8-6-1-2-7-9-3-4-10(7)5-6;1-4-9-7-2-3-8-5-6(1)7;1-3-8-5-7-6(1)2-4-9-7;1-2-6-3-5-9-7(6)8-4-1;1-2-5-9-6-4-8-7(9)3-1;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;1-3-8-5-7-6(1)2-4-9-7;1-3-8-5-6-2-4-9-7(1)6;1-3-8-5-7-6(1)2-4-9-7;1-2-6-3-5-9-7(6)8-4-1;1-2-4-7-6(3-1)8-5-9-7;1-6-3-7(2)5-8-4-6;1-2-6-7-3-5-8(6)4-1;1-2-5-8-6-3-4-7-8;1-8-6-3-2-4-7-5-6;1-8-6-4-2-3-5-7-6;1-3-7-6-2-4-8-5(1)6;1-10-4(2-3-9-10)5(6,7)8;1-5-3-7(2)4-6-5;1-5-3-6-4-7(5)2;1-5-6-3-4-7(5)2;1-5-6-3-2-4-7-5;1-2-4-6-5-3-1;5-4(6,7)3-1-2-8-9-3;1-4-5-2-3-6-4;1-2-6-4-3-5-1;2*1-2-5-4-6-3-1;1-2-4-6-5-3-1;3*1-2-4-5-3-1;1-4-2-6-3-5-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1/h1-7H;3-8H,1-2H3;1-7H;2-6H,1H3;1-7H;1-5H;3*2-6H,1H3;1-6H;1-6H;1-5H;2*1-5,9H;1-5H,(H,8,9);1-6H;2*1-5H,(H,8,9);5*1-5H;3-5H,1-2H3;1-3,5H,4H2;3-4,6H,2,5H2,1H3;2*2-5H,1H3;1-4H;2-3H,1H3;3*3-4H,1-2H3;2-4H,1H3;1-5H;1-2H,(H,8,9);2-3H,1H3,(H,5,6);4*1-4H;1-5H;2*1-4H;1-3H;2*1-3H,(H,4,5);4*1-3H.
What are the key properties of 1H-benzimidazole;1,3-benzothiazole;1-benzothiophene;6-chloroimidazo[1,2-a]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;1-(3,4-dimethylphenyl)pyrazole;3,5-dimethylpyridine;1-(2-fluorophenyl)pyrazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;2-methoxypyridine;3-methoxypyridine;2-methyl-1H-imidazole;bis(1-methylindazole);5-methyl-3-phenyl-1,2,4-oxadiazole;2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1-methyl-5-(trifluoromethyl)pyrazole;1,6-naphthyridine;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrido[4,3-b][1,6]naphthyridine;bis(pyrimidine);1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;quinoline;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thiophene;1,3,5-triazine;2-(trifluoromethyl)imidazo[1,2-a]pyridine;5-(trifluoromethyl)-1H-pyrazole?
1H-benzimidazole;1,3-benzothiazole;1-benzothiophene;6-chloroimidazo[1,2-a]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;1-(3,4-dimethylphenyl)pyrazole;3,5-dimethylpyridine;1-(2-fluorophenyl)pyrazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;2-methoxypyridine;3-methoxypyridine;2-methyl-1H-imidazole;bis(1-methylindazole);5-methyl-3-phenyl-1,2,4-oxadiazole;2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1-methyl-5-(trifluoromethyl)pyrazole;1,6-naphthyridine;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrido[4,3-b][1,6]naphthyridine;bis(pyrimidine);1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;quinoline;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thiophene;1,3,5-triazine;2-(trifluoromethyl)imidazo[1,2-a]pyridine;5-(trifluoromethyl)-1H-pyrazole has a molecular weight of 5750.35 g/mol, XLogP of 71.67, 7 rotatable bonds, 10 hydrogen bond donors, and 88 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazole;1,3-benzothiazole;1-benzothiophene;6-chloroimidazo[1,2-a]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;1-(3,4-dimethylphenyl)pyrazole;3,5-dimethylpyridine;1-(2-fluorophenyl)pyrazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;2-methoxypyridine;3-methoxypyridine;2-methyl-1H-imidazole;bis(1-methylindazole);5-methyl-3-phenyl-1,2,4-oxadiazole;2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1-methyl-5-(trifluoromethyl)pyrazole;1,6-naphthyridine;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrido[4,3-b][1,6]naphthyridine;bis(pyrimidine);1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;quinoline;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thiophene;1,3,5-triazine;2-(trifluoromethyl)imidazo[1,2-a]pyridine;5-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 158592718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).