1H-benzimidazole;2,1,3-benzothiadiazole;1,2-benzothiazole;1,3-benzothiazole;1,2,4-benzotriazine;2H-benzotriazole;2,1,3-benzoxadiazole;1,2-benzoxazole;1,3-benzoxazole;cinnoline;1H-imidazo[1,2-a]imidazole;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[2,1-b][1,3]oxazole;1H-imidazo[4,5-b]pyridine;imidazo[2,1-b][1,3]thiazole;3H-imidazo[4,5-c]pyridine;indolizine;1H-isoindole;isoquinoline;7H-purine;1H-pyrrolo[1,2-a]imidazole;pyrrolo[2,1-b][1,3]oxazole;pyrrolo[2,1-b][1,3]thiazole;quinazoline;quinoline;quinoxaline;4,5,6,7-tetrahydro-1-benzothiophene

C190H155N51O5S6 — CID 157193092

IUPAC1H-benzimidazole;2,1,3-benzothiadiazole;1,2-benzothiazole;1,3-benzothiazole;1,2,4-benzotriazine;2H-benzotriazole;2,1,3-benzoxadiazole;1,2-benzoxazole;1,3-benzoxazole;cinnoline;1H-imidazo[1,2-a]imidazole;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[2,1-b][1,3]oxazole;1H-imidazo[4,5-b]pyridine;imidazo[2,1-b][1,3]thiazole;3H-imidazo[4,5-c]pyridine;indolizine;1H-isoindole;isoquinoline;7H-purine;1H-pyrrolo[1,2-a]imidazole;pyrrolo[2,1-b][1,3]oxazole;pyrrolo[2,1-b][1,3]thiazole;quinazoline;quinoline;quinoxaline;4,5,6,7-tetrahydro-1-benzothiophene
SMILESC1=NCc2ccccc21.c1cc2[nH]ccn2c1.c1cc2c(s1)CCCC2.c1cc2nc[nH]c2cn1.c1cc2occn2c1.c1cc2sccn2c1.c1ccc2[nH]cnc2c1.c1ccc2cnccc2c1.c1ccc2n[nH]nc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2ncncc2c1.c1ccc2nnccc2c1.c1ccc2nncnc2c1.c1ccc2nonc2c1.c1ccc2nsnc2c1.c1ccc2ocnc2c1.c1ccc2oncc2c1.c1ccc2scnc2c1.c1ccc2sncc2c1.c1ccn2cccc2c1.c1ccn2ccnc2c1.c1ccn2cncc2c1.c1cn2cc[nH]c2n1.c1cn2ccoc2n1.c1cn2ccsc2n1.c1cnc2nc[nH]c2c1.c1ncc2[nH]cnc2n1
InChIInChI=1S/2C9H7N.3C8H6N2.2C8H7N.C8H10S.C7H5N3.3C7H6N2.2C7H5NO.2C7H5NS.3C6H5N3.C6H4N2O.C6H4N2S.C6H6N2.C6H5NO.C6H5NS.C5H4N4.C5H5N3.C5H4N2O.C5H4N2S/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-8-7(3-1)5-6-9-10-8;1-2-6-9-7-3-5-8(9)4-1;1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;1-2-4-7-6(3-1)8-5-9-10-7;1-2-5-9-6-4-8-7(9)3-1;1-2-4-9-6-8-5-7(9)3-1;2*1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;1-2-7-3-6-5(1)8-4-9-6;1-2-5-6(7-3-1)9-4-8-5;3*1-2-4-6-5(3-1)7-9-8-6;1-2-6-7-3-5-8(6)4-1;2*1-2-6-7(3-1)4-5-8-6;1-4-5(8-2-6-1)9-3-7-4;1-3-8-4-2-7-5(8)6-1;2*1-2-7-3-4-8-5(7)6-1/h2*1-7H;3*1-6H;1-7H;1-5H,6H2;5-6H,1-4H2;1-5H;2*1-6H;1-5H,(H,8,9);4*1-5H;1-4H,(H,8,9);2*1-4H,(H,7,8,9);2*1-4H;1-5,7H;2*1-5H;1-3H,(H,6,7,8,9);1-4H,(H,6,7);2*1-4H
InChIKeyAPXSSAACQTXGSJ-UHFFFAOYSA-N
MW3425.08 g/mol
LogP42.98
Rot. Bonds

About 1H-benzimidazole;2,1,3-benzothiadiazole;1,2-benzothiazole;1,3-benzothiazole;1,2,4-benzotriazine;2H-benzotriazole;2,1,3-benzoxadiazole;1,2-benzoxazole;1,3-benzoxazole;cinnoline;1H-imidazo[1,2-a]imidazole;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[2,1-b][1,3]oxazole;1H-imidazo[4,5-b]pyridine;imidazo[2,1-b][1,3]thiazole;3H-imidazo[4,5-c]pyridine;indolizine;1H-isoindole;isoquinoline;7H-purine;1H-pyrrolo[1,2-a]imidazole;pyrrolo[2,1-b][1,3]oxazole;pyrrolo[2,1-b][1,3]thiazole;quinazoline;quinoline;quinoxaline;4,5,6,7-tetrahydro-1-benzothiophene

1H-benzimidazole;2,1,3-benzothiadiazole;1,2-benzothiazole;1,3-benzothiazole;1,2,4-benzotriazine;2H-benzotriazole;2,1,3-benzoxadiazole;1,2-benzoxazole;1,3-benzoxazole;cinnoline;1H-imidazo[1,2-a]imidazole;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[2,1-b][1,3]oxazole;1H-imidazo[4,5-b]pyridine;imidazo[2,1-b][1,3]thiazole;3H-imidazo[4,5-c]pyridine;indolizine;1H-isoindole;isoquinoline;7H-purine;1H-pyrrolo[1,2-a]imidazole;pyrrolo[2,1-b][1,3]oxazole;pyrrolo[2,1-b][1,3]thiazole;quinazoline;quinoline;quinoxaline;4,5,6,7-tetrahydro-1-benzothiophene (PubChem CID 157193092) has the molecular formula C190H155N51O5S6 and a molecular weight of 3425.08 g/mol. Its IUPAC name is 1H-benzimidazole;2,1,3-benzothiadiazole;1,2-benzothiazole;1,3-benzothiazole;1,2,4-benzotriazine;2H-benzotriazole;2,1,3-benzoxadiazole;1,2-benzoxazole;1,3-benzoxazole;cinnoline;1H-imidazo[1,2-a]imidazole;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[2,1-b][1,3]oxazole;1H-imidazo[4,5-b]pyridine;imidazo[2,1-b][1,3]thiazole;3H-imidazo[4,5-c]pyridine;indolizine;1H-isoindole;isoquinoline;7H-purine;1H-pyrrolo[1,2-a]imidazole;pyrrolo[2,1-b][1,3]oxazole;pyrrolo[2,1-b][1,3]thiazole;quinazoline;quinoline;quinoxaline;4,5,6,7-tetrahydro-1-benzothiophene.

Molecular Properties

Compound Name1H-benzimidazole;2,1,3-benzothiadiazole;1,2-benzothiazole;1,3-benzothiazole;1,2,4-benzotriazine;2H-benzotriazole;2,1,3-benzoxadiazole;1,2-benzoxazole;1,3-benzoxazole;cinnoline;1H-imidazo[1,2-a]imidazole;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[2,1-b][1,3]oxazole;1H-imidazo[4,5-b]pyridine;imidazo[2,1-b][1,3]thiazole;3H-imidazo[4,5-c]pyridine;indolizine;1H-isoindole;isoquinoline;7H-purine;1H-pyrrolo[1,2-a]imidazole;pyrrolo[2,1-b][1,3]oxazole;pyrrolo[2,1-b][1,3]thiazole;quinazoline;quinoline;quinoxaline;4,5,6,7-tetrahydro-1-benzothiophene
PubChem CID157193092
Molecular FormulaC190H155N51O5S6
Molecular Weight3425.08 g/mol
Exact Mass3422.18
IUPAC Name1H-benzimidazole;2,1,3-benzothiadiazole;1,2-benzothiazole;1,3-benzothiazole;1,2,4-benzotriazine;2H-benzotriazole;2,1,3-benzoxadiazole;1,2-benzoxazole;1,3-benzoxazole;cinnoline;1H-imidazo[1,2-a]imidazole;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[2,1-b][1,3]oxazole;1H-imidazo[4,5-b]pyridine;imidazo[2,1-b][1,3]thiazole;3H-imidazo[4,5-c]pyridine;indolizine;1H-isoindole;isoquinoline;7H-purine;1H-pyrrolo[1,2-a]imidazole;pyrrolo[2,1-b][1,3]oxazole;pyrrolo[2,1-b][1,3]thiazole;quinazoline;quinoline;quinoxaline;4,5,6,7-tetrahydro-1-benzothiophene
SMILESC1=NCc2ccccc21.c1cc2[nH]ccn2c1.c1cc2c(s1)CCCC2.c1cc2nc[nH]c2cn1.c1cc2occn2c1.c1cc2sccn2c1.c1ccc2[nH]cnc2c1.c1ccc2cnccc2c1.c1ccc2n[nH]nc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2ncncc2c1.c1ccc2nnccc2c1.c1ccc2nncnc2c1.c1ccc2nonc2c1.c1ccc2nsnc2c1.c1ccc2ocnc2c1.c1ccc2oncc2c1.c1ccc2scnc2c1.c1ccc2sncc2c1.c1ccn2cccc2c1.c1ccn2ccnc2c1.c1ccn2cncc2c1.c1cn2cc[nH]c2n1.c1cn2ccoc2n1.c1cn2ccsc2n1.c1cnc2nc[nH]c2c1.c1ncc2[nH]cnc2n1
InChIInChI=1S/2C9H7N.3C8H6N2.2C8H7N.C8H10S.C7H5N3.3C7H6N2.2C7H5NO.2C7H5NS.3C6H5N3.C6H4N2O.C6H4N2S.C6H6N2.C6H5NO.C6H5NS.C5H4N4.C5H5N3.C5H4N2O.C5H4N2S/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-8-7(3-1)5-6-9-10-8;1-2-6-9-7-3-5-8(9)4-1;1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;1-2-4-7-6(3-1)8-5-9-10-7;1-2-5-9-6-4-8-7(9)3-1;1-2-4-9-6-8-5-7(9)3-1;2*1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;1-2-7-3-6-5(1)8-4-9-6;1-2-5-6(7-3-1)9-4-8-5;3*1-2-4-6-5(3-1)7-9-8-6;1-2-6-7-3-5-8(6)4-1;2*1-2-6-7(3-1)4-5-8-6;1-4-5(8-2-6-1)9-3-7-4;1-3-8-4-2-7-5(8)6-1;2*1-2-7-3-4-8-5(7)6-1/h2*1-7H;3*1-6H;1-7H;1-5H,6H2;5-6H,1-4H2;1-5H;2*1-6H;1-5H,(H,8,9);4*1-5H;1-4H,(H,8,9);2*1-4H,(H,7,8,9);2*1-4H;1-5,7H;2*1-5H;1-3H,(H,6,7,8,9);1-4H,(H,6,7);2*1-4H
InChIKeyAPXSSAACQTXGSJ-UHFFFAOYSA-N
XLogP42.98
TPSA666.54 Ų
H-Bond Donors7
H-Bond Acceptors55
Rotatable Bonds
Heavy Atoms252
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003425.08
LogP ≤ 542.98
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1055

Analyze 1H-benzimidazole;2,1,3-benzothiadiazole;1,2-benzothiazole;1,3-benzothiazole;1,2,4-benzotriazine;2H-benzotriazole;2,1,3-benzoxadiazole;1,2-benzoxazole;1,3-benzoxazole;cinnoline;1H-imidazo[1,2-a]imidazole;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[2,1-b][1,3]oxazole;1H-imidazo[4,5-b]pyridine;imidazo[2,1-b][1,3]thiazole;3H-imidazo[4,5-c]pyridine;indolizine;1H-isoindole;isoquinoline;7H-purine;1H-pyrrolo[1,2-a]imidazole;pyrrolo[2,1-b][1,3]oxazole;pyrrolo[2,1-b][1,3]thiazole;quinazoline;quinoline;quinoxaline;4,5,6,7-tetrahydro-1-benzothiophene with MolForge

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Related Compounds

2,4-dimethylfuro[3,2-c]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,4-dimethylindole;2,4-dimethyl-1,3-oxazole;2,4-dimethyl-1H-pyrrolo[3,2-c]pyridine;1-methylbenzotriazole;4-methylfuro[3,2-c]pyridine;7-methylfuro[2,3-c]pyridine;2-methyl-1H-imidazole;4-methyl-1H-indazole;1-methylisoquinoline;2-methyl-3-prop-1-enylpyridine;4-methylthieno[2,3-d]pyrimidine;4-methyl-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 157451853
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;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);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1-methyl-5-(trifluoromethyl)pyrazole;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;pyridazine;pyridine;pyrido[4,3-b][1,6]naphthyridine;bis(pyrimidine);1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;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 157712548
benzo[b][1,6]naphthyridine;1,3-benzothiazole;1-benzothiophene;6-chloroimidazo[1,2-a]pyridine;5-(1,1-difluoroethyl)-1-methylpyrazole;5-(1,1-difluoroethyl)-1H-pyrazole;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;1-(3,4-dimethylphenyl)pyrazole;3,5-dimethylpyridine;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;methane;2-methoxypyridine;3-methoxypyridine;2-methyl-1H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;pyridazine;pyridine;bis(pyrimidine);1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;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
CID 157989050
1,3-benzothiazole;1-benzothiophene;6-chloroimidazo[1,2-a]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;5H-imidazo[1,2-b]pyrazole;1H-imidazole;1H-indazole;2-methyl-1H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1-methyl-5-(trifluoromethyl)pyrazole;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;pyridazine;pyridine;pyrido[4,3-b][1,6]naphthyridine;pyrimidine;1H-pyrrole;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;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;1,2,4-triazine;1,3,5-triazine;5-(trifluoromethyl)-1H-pyrazole
CID 158082249
benzo[b][1,6]naphthyridine;1,3-benzothiazole;1-benzothiophene;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;2-methyl-1H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;pyridazine;pyridine;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;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;bis(thieno[2,3-c]pyridine);thiophene;1,3,5-triazine;5-(trifluoromethyl)-1H-pyrazole
CID 158113572
CID 158592718
CID 158592718
cumene;methane;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-indole;5-propan-2-yl-1,2,4-oxadiazole;bis(2-propan-2-yl-1,3-oxazole);5-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;bis(5-propan-2-yl-1H-pyrazole);bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-1,2,4-thiadiazole;bis(2-propan-2-yl-1,3-thiazole);bis(2-propan-2-ylthiophene);2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazole
CID 159939351
CID 159991720
CID 159991720
benzo[b][1,6]naphthyridine;1,3-benzothiazole;1-benzothiophene;5-(1,1-difluoroethyl)-1H-pyrazole;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-indazole;5-methyl-4H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;pyridazine;pyridine;bis(pyrimidine);1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;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
CID 160409071
bis(N-(1,5-dimethylbenzimidazol-2-yl)acetamide);1,3-dimethyl-5-(trifluoromethyl)benzene;2-methyl-1H-benzimidazole;bis(N-(6-methyl-1H-benzimidazol-2-yl)acetamide);3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;3-methyl-1,2-benzothiazole;bis(N-(5-methyl-1,3-benzothiazol-2-yl)acetamide);3-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;bis(N-(5-methyl-1,3-benzoxazol-2-yl)acetamide);3-methyl-2H-indazole;6-methyl-1H-indazole;3-methyl-1H-indole
CID 160634765
10H-benzo[h]quinolin-10-ide;3-(1,3-benzothiazol-2-yl)-4H-chromen-4-id-2-one;1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;2-(4-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(3H-furan-3-id-2-yl)-1,3-benzothiazole;12H-phenanthro[9,10-b]pyridin-12-ide;2-phenyl-1H-benzimidazole;2-phenyl-1,3-benzoxazole;2-phenyl-1H-imidazole;1-phenylisoquinoline;2-phenyl-1,3-oxazole;2-phenylpyridine;2-phenylquinoline;2-phenyl-1,3-thiazole;2-(3H-thiophen-3-id-2-yl)-1,3-benzothiazole
CID 160998536
benzo[b][1,6]naphthyridine;1,3-benzothiazole;1-benzothiophene;5-(1,1-difluoroethyl)-1-methylpyrazole;5-(1,1-difluoroethyl)-1H-pyrazole;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;1-(3,4-dimethylphenyl)pyrazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;2-methoxypyridine;6-methylimidazo[1,2-a]pyridine;2-methyl-1H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;pyridazine;pyridine;bis(pyrimidine);1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;bis(1H-pyrrolo[3,2-c]pyridine);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
CID 161043810

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazole;2,1,3-benzothiadiazole;1,2-benzothiazole;1,3-benzothiazole;1,2,4-benzotriazine;2H-benzotriazole;2,1,3-benzoxadiazole;1,2-benzoxazole;1,3-benzoxazole;cinnoline;1H-imidazo[1,2-a]imidazole;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[2,1-b][1,3]oxazole;1H-imidazo[4,5-b]pyridine;imidazo[2,1-b][1,3]thiazole;3H-imidazo[4,5-c]pyridine;indolizine;1H-isoindole;isoquinoline;7H-purine;1H-pyrrolo[1,2-a]imidazole;pyrrolo[2,1-b][1,3]oxazole;pyrrolo[2,1-b][1,3]thiazole;quinazoline;quinoline;quinoxaline;4,5,6,7-tetrahydro-1-benzothiophene?
The IUPAC name of 1H-benzimidazole;2,1,3-benzothiadiazole;1,2-benzothiazole;1,3-benzothiazole;1,2,4-benzotriazine;2H-benzotriazole;2,1,3-benzoxadiazole;1,2-benzoxazole;1,3-benzoxazole;cinnoline;1H-imidazo[1,2-a]imidazole;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[2,1-b][1,3]oxazole;1H-imidazo[4,5-b]pyridine;imidazo[2,1-b][1,3]thiazole;3H-imidazo[4,5-c]pyridine;indolizine;1H-isoindole;isoquinoline;7H-purine;1H-pyrrolo[1,2-a]imidazole;pyrrolo[2,1-b][1,3]oxazole;pyrrolo[2,1-b][1,3]thiazole;quinazoline;quinoline;quinoxaline;4,5,6,7-tetrahydro-1-benzothiophene (CID 157193092) is 1H-benzimidazole;2,1,3-benzothiadiazole;1,2-benzothiazole;1,3-benzothiazole;1,2,4-benzotriazine;2H-benzotriazole;2,1,3-benzoxadiazole;1,2-benzoxazole;1,3-benzoxazole;cinnoline;1H-imidazo[1,2-a]imidazole;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[2,1-b][1,3]oxazole;1H-imidazo[4,5-b]pyridine;imidazo[2,1-b][1,3]thiazole;3H-imidazo[4,5-c]pyridine;indolizine;1H-isoindole;isoquinoline;7H-purine;1H-pyrrolo[1,2-a]imidazole;pyrrolo[2,1-b][1,3]oxazole;pyrrolo[2,1-b][1,3]thiazole;quinazoline;quinoline;quinoxaline;4,5,6,7-tetrahydro-1-benzothiophene.
What is the SMILES notation for 1H-benzimidazole;2,1,3-benzothiadiazole;1,2-benzothiazole;1,3-benzothiazole;1,2,4-benzotriazine;2H-benzotriazole;2,1,3-benzoxadiazole;1,2-benzoxazole;1,3-benzoxazole;cinnoline;1H-imidazo[1,2-a]imidazole;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[2,1-b][1,3]oxazole;1H-imidazo[4,5-b]pyridine;imidazo[2,1-b][1,3]thiazole;3H-imidazo[4,5-c]pyridine;indolizine;1H-isoindole;isoquinoline;7H-purine;1H-pyrrolo[1,2-a]imidazole;pyrrolo[2,1-b][1,3]oxazole;pyrrolo[2,1-b][1,3]thiazole;quinazoline;quinoline;quinoxaline;4,5,6,7-tetrahydro-1-benzothiophene?
The canonical SMILES for 1H-benzimidazole;2,1,3-benzothiadiazole;1,2-benzothiazole;1,3-benzothiazole;1,2,4-benzotriazine;2H-benzotriazole;2,1,3-benzoxadiazole;1,2-benzoxazole;1,3-benzoxazole;cinnoline;1H-imidazo[1,2-a]imidazole;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[2,1-b][1,3]oxazole;1H-imidazo[4,5-b]pyridine;imidazo[2,1-b][1,3]thiazole;3H-imidazo[4,5-c]pyridine;indolizine;1H-isoindole;isoquinoline;7H-purine;1H-pyrrolo[1,2-a]imidazole;pyrrolo[2,1-b][1,3]oxazole;pyrrolo[2,1-b][1,3]thiazole;quinazoline;quinoline;quinoxaline;4,5,6,7-tetrahydro-1-benzothiophene is C1=NCc2ccccc21.c1cc2[nH]ccn2c1.c1cc2c(s1)CCCC2.c1cc2nc[nH]c2cn1.c1cc2occn2c1.c1cc2sccn2c1.c1ccc2[nH]cnc2c1.c1ccc2cnccc2c1.c1ccc2n[nH]nc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2ncncc2c1.c1ccc2nnccc2c1.c1ccc2nncnc2c1.c1ccc2nonc2c1.c1ccc2nsnc2c1.c1ccc2ocnc2c1.c1ccc2oncc2c1.c1ccc2scnc2c1.c1ccc2sncc2c1.c1ccn2cccc2c1.c1ccn2ccnc2c1.c1ccn2cncc2c1.c1cn2cc[nH]c2n1.c1cn2ccoc2n1.c1cn2ccsc2n1.c1cnc2nc[nH]c2c1.c1ncc2[nH]cnc2n1.
What is the InChIKey of 1H-benzimidazole;2,1,3-benzothiadiazole;1,2-benzothiazole;1,3-benzothiazole;1,2,4-benzotriazine;2H-benzotriazole;2,1,3-benzoxadiazole;1,2-benzoxazole;1,3-benzoxazole;cinnoline;1H-imidazo[1,2-a]imidazole;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[2,1-b][1,3]oxazole;1H-imidazo[4,5-b]pyridine;imidazo[2,1-b][1,3]thiazole;3H-imidazo[4,5-c]pyridine;indolizine;1H-isoindole;isoquinoline;7H-purine;1H-pyrrolo[1,2-a]imidazole;pyrrolo[2,1-b][1,3]oxazole;pyrrolo[2,1-b][1,3]thiazole;quinazoline;quinoline;quinoxaline;4,5,6,7-tetrahydro-1-benzothiophene?
The InChIKey is APXSSAACQTXGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H7N.3C8H6N2.2C8H7N.C8H10S.C7H5N3.3C7H6N2.2C7H5NO.2C7H5NS.3C6H5N3.C6H4N2O.C6H4N2S.C6H6N2.C6H5NO.C6H5NS.C5H4N4.C5H5N3.C5H4N2O.C5H4N2S/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-8-7(3-1)5-6-9-10-8;1-2-6-9-7-3-5-8(9)4-1;1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;1-2-4-7-6(3-1)8-5-9-10-7;1-2-5-9-6-4-8-7(9)3-1;1-2-4-9-6-8-5-7(9)3-1;2*1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;1-2-7-3-6-5(1)8-4-9-6;1-2-5-6(7-3-1)9-4-8-5;3*1-2-4-6-5(3-1)7-9-8-6;1-2-6-7-3-5-8(6)4-1;2*1-2-6-7(3-1)4-5-8-6;1-4-5(8-2-6-1)9-3-7-4;1-3-8-4-2-7-5(8)6-1;2*1-2-7-3-4-8-5(7)6-1/h2*1-7H;3*1-6H;1-7H;1-5H,6H2;5-6H,1-4H2;1-5H;2*1-6H;1-5H,(H,8,9);4*1-5H;1-4H,(H,8,9);2*1-4H,(H,7,8,9);2*1-4H;1-5,7H;2*1-5H;1-3H,(H,6,7,8,9);1-4H,(H,6,7);2*1-4H.
What are the key properties of 1H-benzimidazole;2,1,3-benzothiadiazole;1,2-benzothiazole;1,3-benzothiazole;1,2,4-benzotriazine;2H-benzotriazole;2,1,3-benzoxadiazole;1,2-benzoxazole;1,3-benzoxazole;cinnoline;1H-imidazo[1,2-a]imidazole;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[2,1-b][1,3]oxazole;1H-imidazo[4,5-b]pyridine;imidazo[2,1-b][1,3]thiazole;3H-imidazo[4,5-c]pyridine;indolizine;1H-isoindole;isoquinoline;7H-purine;1H-pyrrolo[1,2-a]imidazole;pyrrolo[2,1-b][1,3]oxazole;pyrrolo[2,1-b][1,3]thiazole;quinazoline;quinoline;quinoxaline;4,5,6,7-tetrahydro-1-benzothiophene?
1H-benzimidazole;2,1,3-benzothiadiazole;1,2-benzothiazole;1,3-benzothiazole;1,2,4-benzotriazine;2H-benzotriazole;2,1,3-benzoxadiazole;1,2-benzoxazole;1,3-benzoxazole;cinnoline;1H-imidazo[1,2-a]imidazole;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[2,1-b][1,3]oxazole;1H-imidazo[4,5-b]pyridine;imidazo[2,1-b][1,3]thiazole;3H-imidazo[4,5-c]pyridine;indolizine;1H-isoindole;isoquinoline;7H-purine;1H-pyrrolo[1,2-a]imidazole;pyrrolo[2,1-b][1,3]oxazole;pyrrolo[2,1-b][1,3]thiazole;quinazoline;quinoline;quinoxaline;4,5,6,7-tetrahydro-1-benzothiophene has a molecular weight of 3425.08 g/mol, XLogP of 42.98, 0 rotatable bonds, 7 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazole;2,1,3-benzothiadiazole;1,2-benzothiazole;1,3-benzothiazole;1,2,4-benzotriazine;2H-benzotriazole;2,1,3-benzoxadiazole;1,2-benzoxazole;1,3-benzoxazole;cinnoline;1H-imidazo[1,2-a]imidazole;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[2,1-b][1,3]oxazole;1H-imidazo[4,5-b]pyridine;imidazo[2,1-b][1,3]thiazole;3H-imidazo[4,5-c]pyridine;indolizine;1H-isoindole;isoquinoline;7H-purine;1H-pyrrolo[1,2-a]imidazole;pyrrolo[2,1-b][1,3]oxazole;pyrrolo[2,1-b][1,3]thiazole;quinazoline;quinoline;quinoxaline;4,5,6,7-tetrahydro-1-benzothiophene is sourced from PubChem (CID 157193092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).