benzene;1H-benzimidazole;1,3-dihydrobenzimidazol-2-one;2,3-dihydro-1-benzofuran;(2,2-dimethylpropane);furan;imidazo[1,2-a]pyridine;bis(imidazo[1,2-b]pyridazine);1H-imidazole;4H-imidazole;1H-indazole;1H-indole;1,3-oxazole;pyrazine;3H-pyrazole;pyrazolo[1,5-a]pyrimidine;pyridine;1H-pyridin-2-one;pyrimidine;1H-pyrrole;2H-pyrrole;1H-pyrrolo[3,2-b]pyridine;quinoline;1,3,4-thiadiazole;1,3-thiazole;thiophene;[1,2,4]triazolo[4,3-a]pyridine

C299H493N43O5S4 — CID 157135557

IUPACbenzene;1H-benzimidazole;1,3-dihydrobenzimidazol-2-one;2,3-dihydro-1-benzofuran;(2,2-dimethylpropane);furan;imidazo[1,2-a]pyridine;bis(imidazo[1,2-b]pyridazine);1H-imidazole;4H-imidazole;1H-indazole;1H-indole;1,3-oxazole;pyrazine;3H-pyrazole;pyrazolo[1,5-a]pyrimidine;pyridine;1H-pyridin-2-one;pyrimidine;1H-pyrrole;2H-pyrrole;1H-pyrrolo[3,2-b]pyridine;quinoline;1,3,4-thiadiazole;1,3-thiazole;thiophene;[1,2,4]triazolo[4,3-a]pyridine
SMILESC1=CCN=C1.C1=CN=NC1.C1=NC=NC1.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.O=c1[nH]c2ccccc2[nH]1.O=c1cccc[nH]1.c1c[nH]cn1.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2[nH]ncc2c1.c1ccc2c(c1)CCO2.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccccc1.c1ccn2ccnc2c1.c1ccn2cnnc2c1.c1ccncc1.c1ccoc1.c1ccsc1.c1ccsc1.c1cnc2cc[nH]c2c1.c1cnc2ccnn2c1.c1cnccn1.c1cncnc1.c1cnn2ccnc2c1.c1cnn2ccnc2c1.c1cocn1.c1cscn1.c1nncs1
InChIInChI=1S/2C9H7N.C8H7N.C8H8O.C7H6N2O.4C7H6N2.4C6H5N3.C6H6.C5H5NO.C5H5N.29C5H12.2C4H4N2.2C4H5N.C4H4O.2C4H4S.3C3H4N2.C3H3NO.C3H3NS.C2H2N2S/c2*1-2-6-9-8(4-1)5-3-7-10-9;2*1-2-4-8-7(3-1)5-6-9-8;10-7-8-5-3-1-2-4-6(5)9-7;1-2-6-7(8-4-1)3-5-9-6;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;1-3-7-6-2-4-8-9(6)5-1;2*1-2-6-7-4-5-9(6)8-3-1;1-2-4-9-5-7-8-6(9)3-1;1-2-4-6-5-3-1;7-5-3-1-2-4-6-5;1-2-4-6-5-3-1;29*1-5(2,3)4;1-2-6-4-3-5-1;1-2-5-4-6-3-1;5*1-2-4-5-3-1;2*1-2-5-3-4-1;1-2-4-5-3-1;2*1-2-5-3-4-1;1-3-4-2-5-1/h2*1-7H;1-6,9H;1-4H,5-6H2;1-4H,(H2,8,9,10);1-5,9H;1-6H;2*1-5H,(H,8,9);4*1-5H;1-6H;1-4H,(H,6,7);1-5H;29*1-4H3;2*1-4H;1-3H,4H2;1-5H;3*1-4H;1,3H,2H2;1-3H,(H,4,5);1-2H,3H2;2*1-3H;1-2H
InChIKeyAJORWCUBKOUIPV-UHFFFAOYSA-N
MW4898.80 g/mol
LogP91.92
Rot. Bonds

About benzene;1H-benzimidazole;1,3-dihydrobenzimidazol-2-one;2,3-dihydro-1-benzofuran;(2,2-dimethylpropane);furan;imidazo[1,2-a]pyridine;bis(imidazo[1,2-b]pyridazine);1H-imidazole;4H-imidazole;1H-indazole;1H-indole;1,3-oxazole;pyrazine;3H-pyrazole;pyrazolo[1,5-a]pyrimidine;pyridine;1H-pyridin-2-one;pyrimidine;1H-pyrrole;2H-pyrrole;1H-pyrrolo[3,2-b]pyridine;quinoline;1,3,4-thiadiazole;1,3-thiazole;thiophene;[1,2,4]triazolo[4,3-a]pyridine

benzene;1H-benzimidazole;1,3-dihydrobenzimidazol-2-one;2,3-dihydro-1-benzofuran;(2,2-dimethylpropane);furan;imidazo[1,2-a]pyridine;bis(imidazo[1,2-b]pyridazine);1H-imidazole;4H-imidazole;1H-indazole;1H-indole;1,3-oxazole;pyrazine;3H-pyrazole;pyrazolo[1,5-a]pyrimidine;pyridine;1H-pyridin-2-one;pyrimidine;1H-pyrrole;2H-pyrrole;1H-pyrrolo[3,2-b]pyridine;quinoline;1,3,4-thiadiazole;1,3-thiazole;thiophene;[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 157135557) has the molecular formula C299H493N43O5S4 and a molecular weight of 4898.80 g/mol. Its IUPAC name is benzene;1H-benzimidazole;1,3-dihydrobenzimidazol-2-one;2,3-dihydro-1-benzofuran;(2,2-dimethylpropane);furan;imidazo[1,2-a]pyridine;bis(imidazo[1,2-b]pyridazine);1H-imidazole;4H-imidazole;1H-indazole;1H-indole;1,3-oxazole;pyrazine;3H-pyrazole;pyrazolo[1,5-a]pyrimidine;pyridine;1H-pyridin-2-one;pyrimidine;1H-pyrrole;2H-pyrrole;1H-pyrrolo[3,2-b]pyridine;quinoline;1,3,4-thiadiazole;1,3-thiazole;thiophene;[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Namebenzene;1H-benzimidazole;1,3-dihydrobenzimidazol-2-one;2,3-dihydro-1-benzofuran;(2,2-dimethylpropane);furan;imidazo[1,2-a]pyridine;bis(imidazo[1,2-b]pyridazine);1H-imidazole;4H-imidazole;1H-indazole;1H-indole;1,3-oxazole;pyrazine;3H-pyrazole;pyrazolo[1,5-a]pyrimidine;pyridine;1H-pyridin-2-one;pyrimidine;1H-pyrrole;2H-pyrrole;1H-pyrrolo[3,2-b]pyridine;quinoline;1,3,4-thiadiazole;1,3-thiazole;thiophene;[1,2,4]triazolo[4,3-a]pyridine
PubChem CID157135557
Molecular FormulaC299H493N43O5S4
Molecular Weight4898.80 g/mol
Exact Mass4894.85
IUPAC Namebenzene;1H-benzimidazole;1,3-dihydrobenzimidazol-2-one;2,3-dihydro-1-benzofuran;(2,2-dimethylpropane);furan;imidazo[1,2-a]pyridine;bis(imidazo[1,2-b]pyridazine);1H-imidazole;4H-imidazole;1H-indazole;1H-indole;1,3-oxazole;pyrazine;3H-pyrazole;pyrazolo[1,5-a]pyrimidine;pyridine;1H-pyridin-2-one;pyrimidine;1H-pyrrole;2H-pyrrole;1H-pyrrolo[3,2-b]pyridine;quinoline;1,3,4-thiadiazole;1,3-thiazole;thiophene;[1,2,4]triazolo[4,3-a]pyridine
SMILESC1=CCN=C1.C1=CN=NC1.C1=NC=NC1.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.O=c1[nH]c2ccccc2[nH]1.O=c1cccc[nH]1.c1c[nH]cn1.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2[nH]ncc2c1.c1ccc2c(c1)CCO2.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccccc1.c1ccn2ccnc2c1.c1ccn2cnnc2c1.c1ccncc1.c1ccoc1.c1ccsc1.c1ccsc1.c1cnc2cc[nH]c2c1.c1cnc2ccnn2c1.c1cnccn1.c1cncnc1.c1cnn2ccnc2c1.c1cnn2ccnc2c1.c1cocn1.c1cscn1.c1nncs1
InChIInChI=1S/2C9H7N.C8H7N.C8H8O.C7H6N2O.4C7H6N2.4C6H5N3.C6H6.C5H5NO.C5H5N.29C5H12.2C4H4N2.2C4H5N.C4H4O.2C4H4S.3C3H4N2.C3H3NO.C3H3NS.C2H2N2S/c2*1-2-6-9-8(4-1)5-3-7-10-9;2*1-2-4-8-7(3-1)5-6-9-8;10-7-8-5-3-1-2-4-6(5)9-7;1-2-6-7(8-4-1)3-5-9-6;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;1-3-7-6-2-4-8-9(6)5-1;2*1-2-6-7-4-5-9(6)8-3-1;1-2-4-9-5-7-8-6(9)3-1;1-2-4-6-5-3-1;7-5-3-1-2-4-6-5;1-2-4-6-5-3-1;29*1-5(2,3)4;1-2-6-4-3-5-1;1-2-5-4-6-3-1;5*1-2-4-5-3-1;2*1-2-5-3-4-1;1-2-4-5-3-1;2*1-2-5-3-4-1;1-3-4-2-5-1/h2*1-7H;1-6,9H;1-4H,5-6H2;1-4H,(H2,8,9,10);1-5,9H;1-6H;2*1-5H,(H,8,9);4*1-5H;1-6H;1-4H,(H,6,7);1-5H;29*1-4H3;2*1-4H;1-3H,4H2;1-5H;3*1-4H;1,3H,2H2;1-3H,(H,4,5);1-2H,3H2;2*1-3H;1-2H
InChIKeyAJORWCUBKOUIPV-UHFFFAOYSA-N
XLogP91.92
TPSA604.97 Ų
H-Bond Donors9
H-Bond Acceptors43
Rotatable Bonds
Heavy Atoms351
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004898.80
LogP ≤ 591.92
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1043

Analyze benzene;1H-benzimidazole;1,3-dihydrobenzimidazol-2-one;2,3-dihydro-1-benzofuran;(2,2-dimethylpropane);furan;imidazo[1,2-a]pyridine;bis(imidazo[1,2-b]pyridazine);1H-imidazole;4H-imidazole;1H-indazole;1H-indole;1,3-oxazole;pyrazine;3H-pyrazole;pyrazolo[1,5-a]pyrimidine;pyridine;1H-pyridin-2-one;pyrimidine;1H-pyrrole;2H-pyrrole;1H-pyrrolo[3,2-b]pyridine;quinoline;1,3,4-thiadiazole;1,3-thiazole;thiophene;[1,2,4]triazolo[4,3-a]pyridine with MolForge

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Related Compounds

benzene;1,3-benzodioxole;1,3-benzothiazole;1-benzothiophene;1,2,4-benzotriazine;cinnoline;cyclopenta-1,3-diene;2,2-difluoro-1,3-benzodioxole;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1-benzofuran;1,4-dimethoxybenzene;ethane;furan;bis(1H-indole);1-methylimidazole;1-methylindole;4-methylmorpholine;1-methylpiperidine;5-methylpyrimidine;morpholine;oxane;1,3-oxazole;[1,3]oxazolo[4,5-c]pyridine;phenol;phenylmethanol;piperidine;pyridine;pyrimidine;quinazoline;quinoline;quinoxaline;thiane;1,3-thiazole;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-c]pyridine;thiophene;triazine;1,3,5-triazine
CID 157051462
4-tert-butyl-2-methyl-1,3-thiazole;2,2-difluoro-5-methyl-1,3-benzodioxole;1,2-dimethylbenzimidazole;2-methyl-1H-benzimidazole;5-methyl-1,3-benzodioxole;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-5-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole;2-methyl-5-phenyl-1,3,4-oxadiazole;2-methyl-4-phenyl-1,3-oxazole;2-methyl-5-phenyl-1,3-oxazole;5-methyl-1-phenyltetrazole;2-methyl-4-phenyl-1,3-thiazole;2-methyl-5-phenyl-1,3-thiazole;4-[(2-methyl-4-phenyl-1,3-thiazol-5-yl)methyl]morpholine;5-methyl-3-phenyl-1H-1,2,4-triazole;2-methyl-5-(piperidin-1-ylmethyl)-1,3-thiazole;2-methyl-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole;2-methyl-1,3-thiazole;4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine;4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine
CID 157257748
benzene;1,3-benzodioxole;1,3-benzothiazole;1-benzothiophene;1,2,4-benzotriazine;cinnoline;cyclopenta-1,3-diene;2,2-difluoro-1,3-benzodioxole;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1-benzofuran;ethane;furan;bis(1H-indole);1-methoxy-4-methylbenzene;1-methylimidazole;1-methylindole;bis(1-methylpiperidine);5-methylpyrimidine;morpholine;oxane;1,3-oxazole;[1,3]oxazolo[4,5-c]pyridine;phenol;phenylmethanol;piperidine;pyridine;pyrimidine;quinazoline;quinoline;quinoxaline;thiane;1,3-thiazole;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-c]pyridine;thiophene;1,2,4-triazine;1,3,5-triazine
CID 157327103
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-benzofuran;5-(1,1-difluoroethyl)-1H-pyrazole;2-(1,1-difluoroethyl)pyridine;N,N-dimethylpyrazin-2-amine;2,3-dimethylpyridine;3,5-dimethylpyridine;N,N-dimethylpyrimidin-2-amine;2,4-dimethyl-1,3-thiazole;2-ethyl-6-methoxypyridine;N-ethyl-N-methyl-1,3-thiazol-2-amine;2-fluoro-3-methylpyridine;2-fluoropyridine;4-fluoropyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;2-(2-methoxyethoxy)pyridine;2-methoxypyridine;3-methoxypyridine;4-methoxypyridine;2-methylpyrazine;2-methylpyridine;tris(3-methylpyridine);4-methylpyridine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-propylpyrazole;1H-pyrido[3,4-b][1,4]thiazine;2-pyrrolidin-1-yl-1,3-thiazole;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine
CID 157457452
1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;1-(2-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine
CID 157464689
benzene;1,3-benzodioxole;tris(1-benzothiophene);bis(cyclopenta-1,3-diene);2,2-difluoro-1,3-benzodioxole;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1-benzofuran;ethane;furan;bis(1H-indole);methane;1-methylimidazole;1-methylindole;oxane;1,3-oxazole;[1,3]oxazolo[4,5-c]pyridine;phenol;phenylmethanol;bis(piperidine);pyridine;pyrimidine;quinazoline;quinoline;quinoxaline;thiane;1,3-thiazole;[1,3]thiazolo[5,4-b]pyridine;thieno[3,2-c]pyridine;1,2,4-triazine;1,3,5-triazine
CID 157505301
2,2-Difluoro-4-methyl-1,3-benzodioxole;5,6-dimethylimidazo[1,2-a]pyridine;1,6-dimethylpyrazolo[4,5-c]pyridine;7-methyl-1,3-dihydroimidazo[4,5-c]pyridin-2-one;3-methylfuran;3-methylimidazo[1,2-a]pyridine;1-methylindazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene;8-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 157858393
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
2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;2-propan-2-ylnaphthalene;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-4-(trifluoromethyl)pyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine
CID 159430087
2-tert-butylbenzonitrile;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;1-tert-butylimidazole;2-tert-butyl-3H-indole;3-tert-butylisoquinoline;4-tert-butyl-1-methylpyrazole;4-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;1-tert-butylpyrrole;2-tert-butylquinazoline;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;4-tert-butyl-2H-triazole;3-(2,2-dimethylpropyl)-1,1-difluorocyclobutane;4-(2,2-dimethylpropyl)oxane
CID 159544015
bis(1H-benzimidazole);1-benzofuran;1,3-benzothiazole;bis(1,3-benzoxazole);3-chloro-5-methylpyridine;3-chloropyridine;5-(1,1-difluoroethyl)-1H-pyrazole;2-(1,1-difluoroethyl)pyridine;3-(1,1-difluoroethyl)pyridine;2,3-difluoropyridine;2,6-dimethoxypyridine;N,N-dimethylpyrimidin-2-amine;N-ethynyl-2-pyridin-4-ylethanamine;3-fluoro-2-methylpyridine;3-fluoropyridine;4-fluoropyridine;furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;2H-indene;bis(1H-indole);2-piperidin-1-ylpyridine;3-piperidin-1-ylpyridine;pyrazine;bis(pyridine);pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;[1,2,4]triazolo[1,5-a]pyridine;4-(trifluoromethyl)pyridine
CID 159672532

Frequently Asked Questions

What is the IUPAC name of benzene;1H-benzimidazole;1,3-dihydrobenzimidazol-2-one;2,3-dihydro-1-benzofuran;(2,2-dimethylpropane);furan;imidazo[1,2-a]pyridine;bis(imidazo[1,2-b]pyridazine);1H-imidazole;4H-imidazole;1H-indazole;1H-indole;1,3-oxazole;pyrazine;3H-pyrazole;pyrazolo[1,5-a]pyrimidine;pyridine;1H-pyridin-2-one;pyrimidine;1H-pyrrole;2H-pyrrole;1H-pyrrolo[3,2-b]pyridine;quinoline;1,3,4-thiadiazole;1,3-thiazole;thiophene;[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of benzene;1H-benzimidazole;1,3-dihydrobenzimidazol-2-one;2,3-dihydro-1-benzofuran;(2,2-dimethylpropane);furan;imidazo[1,2-a]pyridine;bis(imidazo[1,2-b]pyridazine);1H-imidazole;4H-imidazole;1H-indazole;1H-indole;1,3-oxazole;pyrazine;3H-pyrazole;pyrazolo[1,5-a]pyrimidine;pyridine;1H-pyridin-2-one;pyrimidine;1H-pyrrole;2H-pyrrole;1H-pyrrolo[3,2-b]pyridine;quinoline;1,3,4-thiadiazole;1,3-thiazole;thiophene;[1,2,4]triazolo[4,3-a]pyridine (CID 157135557) is benzene;1H-benzimidazole;1,3-dihydrobenzimidazol-2-one;2,3-dihydro-1-benzofuran;(2,2-dimethylpropane);furan;imidazo[1,2-a]pyridine;bis(imidazo[1,2-b]pyridazine);1H-imidazole;4H-imidazole;1H-indazole;1H-indole;1,3-oxazole;pyrazine;3H-pyrazole;pyrazolo[1,5-a]pyrimidine;pyridine;1H-pyridin-2-one;pyrimidine;1H-pyrrole;2H-pyrrole;1H-pyrrolo[3,2-b]pyridine;quinoline;1,3,4-thiadiazole;1,3-thiazole;thiophene;[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for benzene;1H-benzimidazole;1,3-dihydrobenzimidazol-2-one;2,3-dihydro-1-benzofuran;(2,2-dimethylpropane);furan;imidazo[1,2-a]pyridine;bis(imidazo[1,2-b]pyridazine);1H-imidazole;4H-imidazole;1H-indazole;1H-indole;1,3-oxazole;pyrazine;3H-pyrazole;pyrazolo[1,5-a]pyrimidine;pyridine;1H-pyridin-2-one;pyrimidine;1H-pyrrole;2H-pyrrole;1H-pyrrolo[3,2-b]pyridine;quinoline;1,3,4-thiadiazole;1,3-thiazole;thiophene;[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for benzene;1H-benzimidazole;1,3-dihydrobenzimidazol-2-one;2,3-dihydro-1-benzofuran;(2,2-dimethylpropane);furan;imidazo[1,2-a]pyridine;bis(imidazo[1,2-b]pyridazine);1H-imidazole;4H-imidazole;1H-indazole;1H-indole;1,3-oxazole;pyrazine;3H-pyrazole;pyrazolo[1,5-a]pyrimidine;pyridine;1H-pyridin-2-one;pyrimidine;1H-pyrrole;2H-pyrrole;1H-pyrrolo[3,2-b]pyridine;quinoline;1,3,4-thiadiazole;1,3-thiazole;thiophene;[1,2,4]triazolo[4,3-a]pyridine is C1=CCN=C1.C1=CN=NC1.C1=NC=NC1.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.O=c1[nH]c2ccccc2[nH]1.O=c1cccc[nH]1.c1c[nH]cn1.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2[nH]ncc2c1.c1ccc2c(c1)CCO2.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccccc1.c1ccn2ccnc2c1.c1ccn2cnnc2c1.c1ccncc1.c1ccoc1.c1ccsc1.c1ccsc1.c1cnc2cc[nH]c2c1.c1cnc2ccnn2c1.c1cnccn1.c1cncnc1.c1cnn2ccnc2c1.c1cnn2ccnc2c1.c1cocn1.c1cscn1.c1nncs1.
What is the InChIKey of benzene;1H-benzimidazole;1,3-dihydrobenzimidazol-2-one;2,3-dihydro-1-benzofuran;(2,2-dimethylpropane);furan;imidazo[1,2-a]pyridine;bis(imidazo[1,2-b]pyridazine);1H-imidazole;4H-imidazole;1H-indazole;1H-indole;1,3-oxazole;pyrazine;3H-pyrazole;pyrazolo[1,5-a]pyrimidine;pyridine;1H-pyridin-2-one;pyrimidine;1H-pyrrole;2H-pyrrole;1H-pyrrolo[3,2-b]pyridine;quinoline;1,3,4-thiadiazole;1,3-thiazole;thiophene;[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is AJORWCUBKOUIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H7N.C8H7N.C8H8O.C7H6N2O.4C7H6N2.4C6H5N3.C6H6.C5H5NO.C5H5N.29C5H12.2C4H4N2.2C4H5N.C4H4O.2C4H4S.3C3H4N2.C3H3NO.C3H3NS.C2H2N2S/c2*1-2-6-9-8(4-1)5-3-7-10-9;2*1-2-4-8-7(3-1)5-6-9-8;10-7-8-5-3-1-2-4-6(5)9-7;1-2-6-7(8-4-1)3-5-9-6;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;1-3-7-6-2-4-8-9(6)5-1;2*1-2-6-7-4-5-9(6)8-3-1;1-2-4-9-5-7-8-6(9)3-1;1-2-4-6-5-3-1;7-5-3-1-2-4-6-5;1-2-4-6-5-3-1;29*1-5(2,3)4;1-2-6-4-3-5-1;1-2-5-4-6-3-1;5*1-2-4-5-3-1;2*1-2-5-3-4-1;1-2-4-5-3-1;2*1-2-5-3-4-1;1-3-4-2-5-1/h2*1-7H;1-6,9H;1-4H,5-6H2;1-4H,(H2,8,9,10);1-5,9H;1-6H;2*1-5H,(H,8,9);4*1-5H;1-6H;1-4H,(H,6,7);1-5H;29*1-4H3;2*1-4H;1-3H,4H2;1-5H;3*1-4H;1,3H,2H2;1-3H,(H,4,5);1-2H,3H2;2*1-3H;1-2H.
What are the key properties of benzene;1H-benzimidazole;1,3-dihydrobenzimidazol-2-one;2,3-dihydro-1-benzofuran;(2,2-dimethylpropane);furan;imidazo[1,2-a]pyridine;bis(imidazo[1,2-b]pyridazine);1H-imidazole;4H-imidazole;1H-indazole;1H-indole;1,3-oxazole;pyrazine;3H-pyrazole;pyrazolo[1,5-a]pyrimidine;pyridine;1H-pyridin-2-one;pyrimidine;1H-pyrrole;2H-pyrrole;1H-pyrrolo[3,2-b]pyridine;quinoline;1,3,4-thiadiazole;1,3-thiazole;thiophene;[1,2,4]triazolo[4,3-a]pyridine?
benzene;1H-benzimidazole;1,3-dihydrobenzimidazol-2-one;2,3-dihydro-1-benzofuran;(2,2-dimethylpropane);furan;imidazo[1,2-a]pyridine;bis(imidazo[1,2-b]pyridazine);1H-imidazole;4H-imidazole;1H-indazole;1H-indole;1,3-oxazole;pyrazine;3H-pyrazole;pyrazolo[1,5-a]pyrimidine;pyridine;1H-pyridin-2-one;pyrimidine;1H-pyrrole;2H-pyrrole;1H-pyrrolo[3,2-b]pyridine;quinoline;1,3,4-thiadiazole;1,3-thiazole;thiophene;[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 4898.80 g/mol, XLogP of 91.92, 0 rotatable bonds, 9 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;1H-benzimidazole;1,3-dihydrobenzimidazol-2-one;2,3-dihydro-1-benzofuran;(2,2-dimethylpropane);furan;imidazo[1,2-a]pyridine;bis(imidazo[1,2-b]pyridazine);1H-imidazole;4H-imidazole;1H-indazole;1H-indole;1,3-oxazole;pyrazine;3H-pyrazole;pyrazolo[1,5-a]pyrimidine;pyridine;1H-pyridin-2-one;pyrimidine;1H-pyrrole;2H-pyrrole;1H-pyrrolo[3,2-b]pyridine;quinoline;1,3,4-thiadiazole;1,3-thiazole;thiophene;[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 157135557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).