1H-benzimidazole;bis(2H-benzimidazole);1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;ethane;furan;1H-indole;naphthalene;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridine;pyrimidine;bis(1H-pyrrole);2H-pyrrole;3H-pyrrole;quinoline;1,3,4-thiadiazole;1,3-thiazole;thiophene;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole

C199H306N40O6S5 — CID 157356887

IUPAC1H-benzimidazole;bis(2H-benzimidazole);1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;ethane;furan;1H-indole;naphthalene;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridine;pyrimidine;bis(1H-pyrrole);2H-pyrrole;3H-pyrrole;quinoline;1,3,4-thiadiazole;1,3-thiazole;thiophene;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole
SMILESC1=CCN=C1.C1=CN=CC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1cc[nH]c1.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2c(c1)=NCN=2.c1ccc2c(c1)=NCN=2.c1ccc2ccccc2c1.c1ccc2ncccc2c1.c1ccc2occc2c1.c1ccc2ocnc2c1.c1ccc2sccc2c1.c1ccc2scnc2c1.c1ccncc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cn[nH]n1.c1cnccn1.c1cncnc1.c1cnncn1.c1cnoc1.c1cocn1.c1cscn1.c1nc[nH]n1.c1ncncn1.c1nnco1.c1nncs1
InChIInChI=1S/C10H8.C9H7N.C8H7N.C8H6O.C8H6S.3C7H6N2.C7H5NO.C7H5NS.C5H5N.2C4H4N2.4C4H5N.C4H4O.C4H4S.2C3H3N3.C3H4N2.2C3H3NO.C3H3NS.2C2H3N3.C2H2N2O.C2H2N2S.29C2H6/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-6-9-8(4-1)5-3-7-10-9;3*1-2-4-8-7(3-1)5-6-9-8;5*1-2-4-7-6(3-1)8-5-9-7;1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;6*1-2-4-5-3-1;1-4-2-6-3-5-1;1-2-5-6-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-3-2-5-4-1;1-2-4-5-3-1;2*1-3-4-2-5-1;29*1-2/h1-8H;1-7H;1-6,9H;2*1-6H;2*1-4H,5H2;1-5H,(H,8,9);2*1-5H;1-5H;2*1-4H;1,3-4H,2H2;1-3H,4H2;2*1-5H;2*1-4H;2*1-3H;1-3H,(H,4,5);3*1-3H;2*1-2H,(H,3,4,5);2*1-2H;29*1-2H3
InChIKeyBIEOPUGZLPLFNT-UHFFFAOYSA-N
MW3515.25 g/mol
LogP59.37
Rot. Bonds

About 1H-benzimidazole;bis(2H-benzimidazole);1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;ethane;furan;1H-indole;naphthalene;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridine;pyrimidine;bis(1H-pyrrole);2H-pyrrole;3H-pyrrole;quinoline;1,3,4-thiadiazole;1,3-thiazole;thiophene;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole

1H-benzimidazole;bis(2H-benzimidazole);1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;ethane;furan;1H-indole;naphthalene;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridine;pyrimidine;bis(1H-pyrrole);2H-pyrrole;3H-pyrrole;quinoline;1,3,4-thiadiazole;1,3-thiazole;thiophene;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole (PubChem CID 157356887) has the molecular formula C199H306N40O6S5 and a molecular weight of 3515.25 g/mol. Its IUPAC name is 1H-benzimidazole;bis(2H-benzimidazole);1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;ethane;furan;1H-indole;naphthalene;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridine;pyrimidine;bis(1H-pyrrole);2H-pyrrole;3H-pyrrole;quinoline;1,3,4-thiadiazole;1,3-thiazole;thiophene;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole.

Molecular Properties

Compound Name1H-benzimidazole;bis(2H-benzimidazole);1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;ethane;furan;1H-indole;naphthalene;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridine;pyrimidine;bis(1H-pyrrole);2H-pyrrole;3H-pyrrole;quinoline;1,3,4-thiadiazole;1,3-thiazole;thiophene;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole
PubChem CID157356887
Molecular FormulaC199H306N40O6S5
Molecular Weight3515.25 g/mol
Exact Mass3512.35
IUPAC Name1H-benzimidazole;bis(2H-benzimidazole);1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;ethane;furan;1H-indole;naphthalene;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridine;pyrimidine;bis(1H-pyrrole);2H-pyrrole;3H-pyrrole;quinoline;1,3,4-thiadiazole;1,3-thiazole;thiophene;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole
SMILESC1=CCN=C1.C1=CN=CC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1cc[nH]c1.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2c(c1)=NCN=2.c1ccc2c(c1)=NCN=2.c1ccc2ccccc2c1.c1ccc2ncccc2c1.c1ccc2occc2c1.c1ccc2ocnc2c1.c1ccc2sccc2c1.c1ccc2scnc2c1.c1ccncc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cn[nH]n1.c1cnccn1.c1cncnc1.c1cnncn1.c1cnoc1.c1cocn1.c1cscn1.c1nc[nH]n1.c1ncncn1.c1nnco1.c1nncs1
InChIInChI=1S/C10H8.C9H7N.C8H7N.C8H6O.C8H6S.3C7H6N2.C7H5NO.C7H5NS.C5H5N.2C4H4N2.4C4H5N.C4H4O.C4H4S.2C3H3N3.C3H4N2.2C3H3NO.C3H3NS.2C2H3N3.C2H2N2O.C2H2N2S.29C2H6/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-6-9-8(4-1)5-3-7-10-9;3*1-2-4-8-7(3-1)5-6-9-8;5*1-2-4-7-6(3-1)8-5-9-7;1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;6*1-2-4-5-3-1;1-4-2-6-3-5-1;1-2-5-6-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-3-2-5-4-1;1-2-4-5-3-1;2*1-3-4-2-5-1;29*1-2/h1-8H;1-7H;1-6,9H;2*1-6H;2*1-4H,5H2;1-5H,(H,8,9);2*1-5H;1-5H;2*1-4H;1,3-4H,2H2;1-3H,4H2;2*1-5H;2*1-4H;2*1-3H;1-3H,(H,4,5);3*1-3H;2*1-2H,(H,3,4,5);2*1-2H;29*1-2H3
InChIKeyBIEOPUGZLPLFNT-UHFFFAOYSA-N
XLogP59.37
TPSA611.56 Ų
H-Bond Donors7
H-Bond Acceptors44
Rotatable Bonds
Heavy Atoms250
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003515.25
LogP ≤ 559.37
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1044

Analyze 1H-benzimidazole;bis(2H-benzimidazole);1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;ethane;furan;1H-indole;naphthalene;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridine;pyrimidine;bis(1H-pyrrole);2H-pyrrole;3H-pyrrole;quinoline;1,3,4-thiadiazole;1,3-thiazole;thiophene;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole 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
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
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
benzene;1,3-benzodioxole;1,3-benzothiazole;1-benzothiophene;1,2,4-benzotriazine;cinnoline;cyclopenta-1,3-diene;dibenzofuran;dibenzothiophene;2,2-difluoro-1,3-benzodioxole;2,3-dihydro-1,4-benzodioxine;ethane;9H-fluorene;furan;bis(1H-indole);1-methylimidazole;1-methylindole;morpholine;oxane;1,3-oxazole;[1,3]oxazolo[4,5-c]pyridine;phenol;phenylmethanol;piperidine;pyridine;pyrimidine;quinazoline;quinoline;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 157518381
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
3-tert-butyl-5-methyl-1,2,4-oxadiazole;N-tert-butyl-5-methyl-1,2,4-oxadiazole-3-carboxamide;3-tert-butyl-5-methyl-1H-1,2,4-triazole;3-cyclopropyl-5-methyl-1,2,4-oxadiazole;3-cyclopropyl-5-methyl-1H-1,2,4-triazole;2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1H-pyrazole;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole;2,4-dimethyltriazole;3,5-dimethyl-1H-1,2,4-triazole;2-ethyl-5-methyltetrazole;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;5-methyl-1,2,4-oxadiazole-3-carboxylic acid;5-methyl-3-phenyl-1,2,4-oxadiazole;2-methylpyrimidine;2-methyl-4,5,6,7-tetrahydro-3H-indole;5-methyl-3-(trifluoromethyl)-1H-1,2,4-triazole
CID 158248952
benzaldehyde;benzonitrile;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;2-(1,1-difluoroethyl)-1,3-bis(trifluoromethyl)benzene;3H-indole;4-methylidenecyclopent-2-en-1-one;4H-naphthalen-1-one;1,6-naphthyridine;phenanthridine;1H-phenanthro[9,10-d]imidazole;1,10-phenanthroline;2-phenyl-1,3-benzoxazole;2-pyridin-2-ylpyridine;quinoline
CID 158538440
CID 158592718
CID 158592718

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazole;bis(2H-benzimidazole);1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;ethane;furan;1H-indole;naphthalene;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridine;pyrimidine;bis(1H-pyrrole);2H-pyrrole;3H-pyrrole;quinoline;1,3,4-thiadiazole;1,3-thiazole;thiophene;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole?
The IUPAC name of 1H-benzimidazole;bis(2H-benzimidazole);1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;ethane;furan;1H-indole;naphthalene;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridine;pyrimidine;bis(1H-pyrrole);2H-pyrrole;3H-pyrrole;quinoline;1,3,4-thiadiazole;1,3-thiazole;thiophene;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole (CID 157356887) is 1H-benzimidazole;bis(2H-benzimidazole);1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;ethane;furan;1H-indole;naphthalene;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridine;pyrimidine;bis(1H-pyrrole);2H-pyrrole;3H-pyrrole;quinoline;1,3,4-thiadiazole;1,3-thiazole;thiophene;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole.
What is the SMILES notation for 1H-benzimidazole;bis(2H-benzimidazole);1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;ethane;furan;1H-indole;naphthalene;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridine;pyrimidine;bis(1H-pyrrole);2H-pyrrole;3H-pyrrole;quinoline;1,3,4-thiadiazole;1,3-thiazole;thiophene;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole?
The canonical SMILES for 1H-benzimidazole;bis(2H-benzimidazole);1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;ethane;furan;1H-indole;naphthalene;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridine;pyrimidine;bis(1H-pyrrole);2H-pyrrole;3H-pyrrole;quinoline;1,3,4-thiadiazole;1,3-thiazole;thiophene;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole is C1=CCN=C1.C1=CN=CC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1cc[nH]c1.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2c(c1)=NCN=2.c1ccc2c(c1)=NCN=2.c1ccc2ccccc2c1.c1ccc2ncccc2c1.c1ccc2occc2c1.c1ccc2ocnc2c1.c1ccc2sccc2c1.c1ccc2scnc2c1.c1ccncc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cn[nH]n1.c1cnccn1.c1cncnc1.c1cnncn1.c1cnoc1.c1cocn1.c1cscn1.c1nc[nH]n1.c1ncncn1.c1nnco1.c1nncs1.
What is the InChIKey of 1H-benzimidazole;bis(2H-benzimidazole);1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;ethane;furan;1H-indole;naphthalene;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridine;pyrimidine;bis(1H-pyrrole);2H-pyrrole;3H-pyrrole;quinoline;1,3,4-thiadiazole;1,3-thiazole;thiophene;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole?
The InChIKey is BIEOPUGZLPLFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.C9H7N.C8H7N.C8H6O.C8H6S.3C7H6N2.C7H5NO.C7H5NS.C5H5N.2C4H4N2.4C4H5N.C4H4O.C4H4S.2C3H3N3.C3H4N2.2C3H3NO.C3H3NS.2C2H3N3.C2H2N2O.C2H2N2S.29C2H6/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-6-9-8(4-1)5-3-7-10-9;3*1-2-4-8-7(3-1)5-6-9-8;5*1-2-4-7-6(3-1)8-5-9-7;1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;6*1-2-4-5-3-1;1-4-2-6-3-5-1;1-2-5-6-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-3-2-5-4-1;1-2-4-5-3-1;2*1-3-4-2-5-1;29*1-2/h1-8H;1-7H;1-6,9H;2*1-6H;2*1-4H,5H2;1-5H,(H,8,9);2*1-5H;1-5H;2*1-4H;1,3-4H,2H2;1-3H,4H2;2*1-5H;2*1-4H;2*1-3H;1-3H,(H,4,5);3*1-3H;2*1-2H,(H,3,4,5);2*1-2H;29*1-2H3.
What are the key properties of 1H-benzimidazole;bis(2H-benzimidazole);1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;ethane;furan;1H-indole;naphthalene;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridine;pyrimidine;bis(1H-pyrrole);2H-pyrrole;3H-pyrrole;quinoline;1,3,4-thiadiazole;1,3-thiazole;thiophene;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole?
1H-benzimidazole;bis(2H-benzimidazole);1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;ethane;furan;1H-indole;naphthalene;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridine;pyrimidine;bis(1H-pyrrole);2H-pyrrole;3H-pyrrole;quinoline;1,3,4-thiadiazole;1,3-thiazole;thiophene;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole has a molecular weight of 3515.25 g/mol, XLogP of 59.37, 0 rotatable bonds, 7 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazole;bis(2H-benzimidazole);1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;ethane;furan;1H-indole;naphthalene;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridine;pyrimidine;bis(1H-pyrrole);2H-pyrrole;3H-pyrrole;quinoline;1,3,4-thiadiazole;1,3-thiazole;thiophene;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole is sourced from PubChem (CID 157356887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).