1H-benzimidazole;1-benzofuran;ethane;furan;imidazo[2,1-a]isoquinoline;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-a]quinazoline;imidazo[1,2-b]isoquinoline;imidazo[1,2-b]pyridazine;bis(1H-imidazo[4,5-b]pyridine);bis(imidazo[1,2-b][1,2,4]triazine);imidazo[1,2-c]pyrimidine;imidazo[2,1-c][1,2,4]triazine;imidazo[2,1-f][1,2,4]triazine;1H-imidazole;1H-indazole;1H-indole;2H-isoindole;oxadiazole;1,2,5-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1H-pyrrolo[2,3-b]pyridine;2H-tetrazole;thiadiazole;1,2,5-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole

C255H378N78O6S5 — CID 157473083

IUPAC1H-benzimidazole;1-benzofuran;ethane;furan;imidazo[2,1-a]isoquinoline;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-a]quinazoline;imidazo[1,2-b]isoquinoline;imidazo[1,2-b]pyridazine;bis(1H-imidazo[4,5-b]pyridine);bis(imidazo[1,2-b][1,2,4]triazine);imidazo[1,2-c]pyrimidine;imidazo[2,1-c][1,2,4]triazine;imidazo[2,1-f][1,2,4]triazine;1H-imidazole;1H-indazole;1H-indole;2H-isoindole;oxadiazole;1,2,5-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1H-pyrrolo[2,3-b]pyridine;2H-tetrazole;thiadiazole;1,2,5-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole
SMILESCC.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.CC.CC.CC.CC.CC.CC.c1c[nH]cn1.c1cc2nccn2cn1.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2[nH]ncc2c1.c1ccc2c(c1)ccn1ccnc21.c1ccc2c(c1)cnc1nccn12.c1ccc2c[nH]cc2c1.c1ccc2cn3ccnc3cc2c1.c1ccc2occc2c1.c1ccn2ccnc2c1.c1ccoc1.c1ccsc1.c1cn2ccnc2cn1.c1cn2ccnc2nn1.c1cn2ncncc2n1.c1cn[nH]c1.c1cn[nH]n1.c1cnc2[nH]ccc2c1.c1cnc2nc[nH]c2c1.c1cnc2nc[nH]c2c1.c1cnc2nccn2c1.c1cnn2ccnc2c1.c1cnn2ccnc2n1.c1cnn2ccnc2n1.c1cnoc1.c1cnon1.c1cnsc1.c1cnsn1.c1cocn1.c1conn1.c1cscn1.c1csnn1.c1nc[nH]n1.c1nn[nH]n1
InChIInChI=1S/2C11H8N2.C10H7N3.2C8H7N.C8H6O.4C7H6N2.6C6H5N3.4C5H4N4.C4H5N.C4H4O.C4H4S.2C3H4N2.2C3H3NO.2C3H3NS.2C2H3N3.2C2H2N2O.2C2H2N2S.36C2H6.CH2N4/c1-2-4-10-9(3-1)5-7-13-8-6-12-11(10)13;1-2-4-10-8-13-6-5-12-11(13)7-9(10)3-1;1-2-4-9-8(3-1)7-12-10-11-5-6-13(9)10;1-2-4-8-6-9-5-7(8)3-1;2*1-2-4-8-7(3-1)5-6-9-8;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;1-3-9-4-2-8-6(9)5-7-1;1-2-7-5-9-4-3-8-6(1)9;1-2-7-6-8-3-5-9(6)4-1;1-2-6-7-4-5-9(6)8-3-1;2*1-2-5-6(7-3-1)9-4-8-5;1-3-9-4-2-7-8-5(9)6-1;1-2-9-5(7-1)3-6-4-8-9;2*1-2-8-9-4-3-7-5(9)6-1;3*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;1-2-5-3-4-1;1-2-4-5-3-1;1-3-2-5-4-1;1-2-4-5-3-1;1-2-5-4-3-1;1-2-4-5-3-1;1-2-5-4-3-1;1-2-4-5-3-1;36*1-2;1-2-4-5-3-1/h2*1-8H;1-7H;2*1-6,9H;1-6H;1-5H,(H,8,9);1-6H;2*1-5H,(H,8,9);4*1-5H;2*1-4H,(H,7,8,9);4*1-4H;1-5H;2*1-4H;2*1-3H,(H,4,5);4*1-3H;2*1-2H,(H,3,4,5);4*1-2H;36*1-2H3;1H,(H,2,3,4,5)
InChIKeyBVGQGDSXDXGRCQ-UHFFFAOYSA-N
MW4792.70 g/mol
LogP70.44
Rot. Bonds

About 1H-benzimidazole;1-benzofuran;ethane;furan;imidazo[2,1-a]isoquinoline;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-a]quinazoline;imidazo[1,2-b]isoquinoline;imidazo[1,2-b]pyridazine;bis(1H-imidazo[4,5-b]pyridine);bis(imidazo[1,2-b][1,2,4]triazine);imidazo[1,2-c]pyrimidine;imidazo[2,1-c][1,2,4]triazine;imidazo[2,1-f][1,2,4]triazine;1H-imidazole;1H-indazole;1H-indole;2H-isoindole;oxadiazole;1,2,5-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1H-pyrrolo[2,3-b]pyridine;2H-tetrazole;thiadiazole;1,2,5-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole

1H-benzimidazole;1-benzofuran;ethane;furan;imidazo[2,1-a]isoquinoline;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-a]quinazoline;imidazo[1,2-b]isoquinoline;imidazo[1,2-b]pyridazine;bis(1H-imidazo[4,5-b]pyridine);bis(imidazo[1,2-b][1,2,4]triazine);imidazo[1,2-c]pyrimidine;imidazo[2,1-c][1,2,4]triazine;imidazo[2,1-f][1,2,4]triazine;1H-imidazole;1H-indazole;1H-indole;2H-isoindole;oxadiazole;1,2,5-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1H-pyrrolo[2,3-b]pyridine;2H-tetrazole;thiadiazole;1,2,5-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole (PubChem CID 157473083) has the molecular formula C255H378N78O6S5 and a molecular weight of 4792.70 g/mol. Its IUPAC name is 1H-benzimidazole;1-benzofuran;ethane;furan;imidazo[2,1-a]isoquinoline;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-a]quinazoline;imidazo[1,2-b]isoquinoline;imidazo[1,2-b]pyridazine;bis(1H-imidazo[4,5-b]pyridine);bis(imidazo[1,2-b][1,2,4]triazine);imidazo[1,2-c]pyrimidine;imidazo[2,1-c][1,2,4]triazine;imidazo[2,1-f][1,2,4]triazine;1H-imidazole;1H-indazole;1H-indole;2H-isoindole;oxadiazole;1,2,5-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1H-pyrrolo[2,3-b]pyridine;2H-tetrazole;thiadiazole;1,2,5-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole.

Molecular Properties

Compound Name1H-benzimidazole;1-benzofuran;ethane;furan;imidazo[2,1-a]isoquinoline;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-a]quinazoline;imidazo[1,2-b]isoquinoline;imidazo[1,2-b]pyridazine;bis(1H-imidazo[4,5-b]pyridine);bis(imidazo[1,2-b][1,2,4]triazine);imidazo[1,2-c]pyrimidine;imidazo[2,1-c][1,2,4]triazine;imidazo[2,1-f][1,2,4]triazine;1H-imidazole;1H-indazole;1H-indole;2H-isoindole;oxadiazole;1,2,5-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1H-pyrrolo[2,3-b]pyridine;2H-tetrazole;thiadiazole;1,2,5-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole
PubChem CID157473083
Molecular FormulaC255H378N78O6S5
Molecular Weight4792.70 g/mol
Exact Mass4789.03
IUPAC Name1H-benzimidazole;1-benzofuran;ethane;furan;imidazo[2,1-a]isoquinoline;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-a]quinazoline;imidazo[1,2-b]isoquinoline;imidazo[1,2-b]pyridazine;bis(1H-imidazo[4,5-b]pyridine);bis(imidazo[1,2-b][1,2,4]triazine);imidazo[1,2-c]pyrimidine;imidazo[2,1-c][1,2,4]triazine;imidazo[2,1-f][1,2,4]triazine;1H-imidazole;1H-indazole;1H-indole;2H-isoindole;oxadiazole;1,2,5-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1H-pyrrolo[2,3-b]pyridine;2H-tetrazole;thiadiazole;1,2,5-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole
SMILESCC.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.CC.CC.CC.CC.CC.CC.c1c[nH]cn1.c1cc2nccn2cn1.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2[nH]ncc2c1.c1ccc2c(c1)ccn1ccnc21.c1ccc2c(c1)cnc1nccn12.c1ccc2c[nH]cc2c1.c1ccc2cn3ccnc3cc2c1.c1ccc2occc2c1.c1ccn2ccnc2c1.c1ccoc1.c1ccsc1.c1cn2ccnc2cn1.c1cn2ccnc2nn1.c1cn2ncncc2n1.c1cn[nH]c1.c1cn[nH]n1.c1cnc2[nH]ccc2c1.c1cnc2nc[nH]c2c1.c1cnc2nc[nH]c2c1.c1cnc2nccn2c1.c1cnn2ccnc2c1.c1cnn2ccnc2n1.c1cnn2ccnc2n1.c1cnoc1.c1cnon1.c1cnsc1.c1cnsn1.c1cocn1.c1conn1.c1cscn1.c1csnn1.c1nc[nH]n1.c1nn[nH]n1
InChIInChI=1S/2C11H8N2.C10H7N3.2C8H7N.C8H6O.4C7H6N2.6C6H5N3.4C5H4N4.C4H5N.C4H4O.C4H4S.2C3H4N2.2C3H3NO.2C3H3NS.2C2H3N3.2C2H2N2O.2C2H2N2S.36C2H6.CH2N4/c1-2-4-10-9(3-1)5-7-13-8-6-12-11(10)13;1-2-4-10-8-13-6-5-12-11(13)7-9(10)3-1;1-2-4-9-8(3-1)7-12-10-11-5-6-13(9)10;1-2-4-8-6-9-5-7(8)3-1;2*1-2-4-8-7(3-1)5-6-9-8;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;1-3-9-4-2-8-6(9)5-7-1;1-2-7-5-9-4-3-8-6(1)9;1-2-7-6-8-3-5-9(6)4-1;1-2-6-7-4-5-9(6)8-3-1;2*1-2-5-6(7-3-1)9-4-8-5;1-3-9-4-2-7-8-5(9)6-1;1-2-9-5(7-1)3-6-4-8-9;2*1-2-8-9-4-3-7-5(9)6-1;3*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;1-2-5-3-4-1;1-2-4-5-3-1;1-3-2-5-4-1;1-2-4-5-3-1;1-2-5-4-3-1;1-2-4-5-3-1;1-2-5-4-3-1;1-2-4-5-3-1;36*1-2;1-2-4-5-3-1/h2*1-8H;1-7H;2*1-6,9H;1-6H;1-5H,(H,8,9);1-6H;2*1-5H,(H,8,9);4*1-5H;2*1-4H,(H,7,8,9);4*1-4H;1-5H;2*1-4H;2*1-3H,(H,4,5);4*1-3H;2*1-2H,(H,3,4,5);4*1-2H;36*1-2H3;1H,(H,2,3,4,5)
InChIKeyBVGQGDSXDXGRCQ-UHFFFAOYSA-N
XLogP70.44
TPSA1020.20 Ų
H-Bond Donors13
H-Bond Acceptors76
Rotatable Bonds
Heavy Atoms344
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004792.70
LogP ≤ 570.44
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1076

Analyze 1H-benzimidazole;1-benzofuran;ethane;furan;imidazo[2,1-a]isoquinoline;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-a]quinazoline;imidazo[1,2-b]isoquinoline;imidazo[1,2-b]pyridazine;bis(1H-imidazo[4,5-b]pyridine);bis(imidazo[1,2-b][1,2,4]triazine);imidazo[1,2-c]pyrimidine;imidazo[2,1-c][1,2,4]triazine;imidazo[2,1-f][1,2,4]triazine;1H-imidazole;1H-indazole;1H-indole;2H-isoindole;oxadiazole;1,2,5-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1H-pyrrolo[2,3-b]pyridine;2H-tetrazole;thiadiazole;1,2,5-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;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
1H-benzimidazole;1-(2-chlorophenyl)pyrazole;5-(1,1-difluoroethyl)-1-methylpyrazole;2,3-dihydro-1H-benzo[de]isoquinoline;2,3-dihydro-1H-indole;1-(3,4-dimethylphenyl)pyrazole;3,5-dimethylpyridine;1-(2-fluorophenyl)pyrazole;2-methoxypyridine;3-methoxypyridine;6-methylimidazo[1,2-a]pyridine;5-methyl-3-phenyl-1,2,4-oxadiazole;1-(3-methylphenyl)pyrazole;1-(4-methylphenyl)pyrazole;1,6-naphthyridine;2-pyridin-3-yl-1,3-oxazole;3-(1H-pyrrol-2-yl)pyridine;4-(3H-pyrrol-5-yl)pyridine;quinoline;5,6,7,8-tetrahydro-1,6-naphthyridine;thieno[2,3-b]pyrazine;2-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 157674447
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
2-ethyl-N-propan-2-yl-[1,3]thiazolo[4,5-b]pyridin-6-amine;1-methyl-5-phenyl-N-propan-2-yl-1,2,4-triazol-3-amine;2-methyl-5-phenyl-N-propan-2-yl-1,2,4-triazol-3-amine;4-methyl-5-phenyl-N-propan-2-yl-1,2,4-triazol-3-amine;5-methyl-7-(propan-2-ylamino)pyrido[2,3-b]pyrazin-6-one;6-methyl-N-propan-2-ylthieno[2,3-c]pyridazin-3-amine;4-methyl-N-propan-2-yl-5-thiophen-2-yl-1,2,4-triazol-3-amine;5-methylsulfanyl-4-phenyl-N-propan-2-yl-1,2,4-triazol-3-amine;2-(propan-2-ylamino)-4H-pyrido[2,3-b]pyrazin-3-one;7-(propan-2-ylamino)-5H-pyrido[3,2-d]pyrimidin-6-one;7-(propan-2-ylamino)-2-(trifluoromethyl)-5H-pyrido[3,2-d]pyrimidin-6-one;N-propan-2-yl-1,2,3-benzothiadiazol-6-amine;N-propan-2-ylthiadiazolo[4,5-b]pyridin-6-amine;N-propan-2-yl-[1,3]thiazolo[4,5-b]pyridin-6-amine;N-propan-2-ylthieno[3,2-c]pyridazin-3-amine;N-propan-2-yl-6-(trifluoromethyl)furo[3,2-c]pyridazin-3-amine
CID 158077376
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
1,2-Dimethylbenzimidazole;3,6-dimethylimidazo[4,5-b]pyridine;bis(2,5-dimethylpyridine);1,4-dimethylpyridin-2-one;ethane;2-(2-fluorophenyl)-4-methyl-1,3-thiazole;1-(3-isocyano-2-methylphenyl)ethanone;1-methylbenzimidazole;6-methylfuro[3,2-b]pyridine;1-methylindole;methyl 5-methylpyridine-2-carboxylate;2-methyl-1-phenylbenzimidazole;pentakis(2-methylpyrazine);6-methylpyrazolo[1,5-a]pyridine;2-methylpyridine;tris(3-methylpyridine);2-methylquinoline;5-methyl-2-(trifluoromethyl)pyridine;toluene
CID 158253580

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazole;1-benzofuran;ethane;furan;imidazo[2,1-a]isoquinoline;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-a]quinazoline;imidazo[1,2-b]isoquinoline;imidazo[1,2-b]pyridazine;bis(1H-imidazo[4,5-b]pyridine);bis(imidazo[1,2-b][1,2,4]triazine);imidazo[1,2-c]pyrimidine;imidazo[2,1-c][1,2,4]triazine;imidazo[2,1-f][1,2,4]triazine;1H-imidazole;1H-indazole;1H-indole;2H-isoindole;oxadiazole;1,2,5-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1H-pyrrolo[2,3-b]pyridine;2H-tetrazole;thiadiazole;1,2,5-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole?
The IUPAC name of 1H-benzimidazole;1-benzofuran;ethane;furan;imidazo[2,1-a]isoquinoline;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-a]quinazoline;imidazo[1,2-b]isoquinoline;imidazo[1,2-b]pyridazine;bis(1H-imidazo[4,5-b]pyridine);bis(imidazo[1,2-b][1,2,4]triazine);imidazo[1,2-c]pyrimidine;imidazo[2,1-c][1,2,4]triazine;imidazo[2,1-f][1,2,4]triazine;1H-imidazole;1H-indazole;1H-indole;2H-isoindole;oxadiazole;1,2,5-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1H-pyrrolo[2,3-b]pyridine;2H-tetrazole;thiadiazole;1,2,5-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole (CID 157473083) is 1H-benzimidazole;1-benzofuran;ethane;furan;imidazo[2,1-a]isoquinoline;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-a]quinazoline;imidazo[1,2-b]isoquinoline;imidazo[1,2-b]pyridazine;bis(1H-imidazo[4,5-b]pyridine);bis(imidazo[1,2-b][1,2,4]triazine);imidazo[1,2-c]pyrimidine;imidazo[2,1-c][1,2,4]triazine;imidazo[2,1-f][1,2,4]triazine;1H-imidazole;1H-indazole;1H-indole;2H-isoindole;oxadiazole;1,2,5-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1H-pyrrolo[2,3-b]pyridine;2H-tetrazole;thiadiazole;1,2,5-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole.
What is the SMILES notation for 1H-benzimidazole;1-benzofuran;ethane;furan;imidazo[2,1-a]isoquinoline;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-a]quinazoline;imidazo[1,2-b]isoquinoline;imidazo[1,2-b]pyridazine;bis(1H-imidazo[4,5-b]pyridine);bis(imidazo[1,2-b][1,2,4]triazine);imidazo[1,2-c]pyrimidine;imidazo[2,1-c][1,2,4]triazine;imidazo[2,1-f][1,2,4]triazine;1H-imidazole;1H-indazole;1H-indole;2H-isoindole;oxadiazole;1,2,5-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1H-pyrrolo[2,3-b]pyridine;2H-tetrazole;thiadiazole;1,2,5-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole?
The canonical SMILES for 1H-benzimidazole;1-benzofuran;ethane;furan;imidazo[2,1-a]isoquinoline;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-a]quinazoline;imidazo[1,2-b]isoquinoline;imidazo[1,2-b]pyridazine;bis(1H-imidazo[4,5-b]pyridine);bis(imidazo[1,2-b][1,2,4]triazine);imidazo[1,2-c]pyrimidine;imidazo[2,1-c][1,2,4]triazine;imidazo[2,1-f][1,2,4]triazine;1H-imidazole;1H-indazole;1H-indole;2H-isoindole;oxadiazole;1,2,5-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1H-pyrrolo[2,3-b]pyridine;2H-tetrazole;thiadiazole;1,2,5-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole is 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.CC.CC.CC.CC.CC.CC.CC.c1c[nH]cn1.c1cc2nccn2cn1.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2[nH]ncc2c1.c1ccc2c(c1)ccn1ccnc21.c1ccc2c(c1)cnc1nccn12.c1ccc2c[nH]cc2c1.c1ccc2cn3ccnc3cc2c1.c1ccc2occc2c1.c1ccn2ccnc2c1.c1ccoc1.c1ccsc1.c1cn2ccnc2cn1.c1cn2ccnc2nn1.c1cn2ncncc2n1.c1cn[nH]c1.c1cn[nH]n1.c1cnc2[nH]ccc2c1.c1cnc2nc[nH]c2c1.c1cnc2nc[nH]c2c1.c1cnc2nccn2c1.c1cnn2ccnc2c1.c1cnn2ccnc2n1.c1cnn2ccnc2n1.c1cnoc1.c1cnon1.c1cnsc1.c1cnsn1.c1cocn1.c1conn1.c1cscn1.c1csnn1.c1nc[nH]n1.c1nn[nH]n1.
What is the InChIKey of 1H-benzimidazole;1-benzofuran;ethane;furan;imidazo[2,1-a]isoquinoline;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-a]quinazoline;imidazo[1,2-b]isoquinoline;imidazo[1,2-b]pyridazine;bis(1H-imidazo[4,5-b]pyridine);bis(imidazo[1,2-b][1,2,4]triazine);imidazo[1,2-c]pyrimidine;imidazo[2,1-c][1,2,4]triazine;imidazo[2,1-f][1,2,4]triazine;1H-imidazole;1H-indazole;1H-indole;2H-isoindole;oxadiazole;1,2,5-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1H-pyrrolo[2,3-b]pyridine;2H-tetrazole;thiadiazole;1,2,5-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole?
The InChIKey is BVGQGDSXDXGRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H8N2.C10H7N3.2C8H7N.C8H6O.4C7H6N2.6C6H5N3.4C5H4N4.C4H5N.C4H4O.C4H4S.2C3H4N2.2C3H3NO.2C3H3NS.2C2H3N3.2C2H2N2O.2C2H2N2S.36C2H6.CH2N4/c1-2-4-10-9(3-1)5-7-13-8-6-12-11(10)13;1-2-4-10-8-13-6-5-12-11(13)7-9(10)3-1;1-2-4-9-8(3-1)7-12-10-11-5-6-13(9)10;1-2-4-8-6-9-5-7(8)3-1;2*1-2-4-8-7(3-1)5-6-9-8;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;1-3-9-4-2-8-6(9)5-7-1;1-2-7-5-9-4-3-8-6(1)9;1-2-7-6-8-3-5-9(6)4-1;1-2-6-7-4-5-9(6)8-3-1;2*1-2-5-6(7-3-1)9-4-8-5;1-3-9-4-2-7-8-5(9)6-1;1-2-9-5(7-1)3-6-4-8-9;2*1-2-8-9-4-3-7-5(9)6-1;3*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;1-2-5-3-4-1;1-2-4-5-3-1;1-3-2-5-4-1;1-2-4-5-3-1;1-2-5-4-3-1;1-2-4-5-3-1;1-2-5-4-3-1;1-2-4-5-3-1;36*1-2;1-2-4-5-3-1/h2*1-8H;1-7H;2*1-6,9H;1-6H;1-5H,(H,8,9);1-6H;2*1-5H,(H,8,9);4*1-5H;2*1-4H,(H,7,8,9);4*1-4H;1-5H;2*1-4H;2*1-3H,(H,4,5);4*1-3H;2*1-2H,(H,3,4,5);4*1-2H;36*1-2H3;1H,(H,2,3,4,5).
What are the key properties of 1H-benzimidazole;1-benzofuran;ethane;furan;imidazo[2,1-a]isoquinoline;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-a]quinazoline;imidazo[1,2-b]isoquinoline;imidazo[1,2-b]pyridazine;bis(1H-imidazo[4,5-b]pyridine);bis(imidazo[1,2-b][1,2,4]triazine);imidazo[1,2-c]pyrimidine;imidazo[2,1-c][1,2,4]triazine;imidazo[2,1-f][1,2,4]triazine;1H-imidazole;1H-indazole;1H-indole;2H-isoindole;oxadiazole;1,2,5-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1H-pyrrolo[2,3-b]pyridine;2H-tetrazole;thiadiazole;1,2,5-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole?
1H-benzimidazole;1-benzofuran;ethane;furan;imidazo[2,1-a]isoquinoline;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-a]quinazoline;imidazo[1,2-b]isoquinoline;imidazo[1,2-b]pyridazine;bis(1H-imidazo[4,5-b]pyridine);bis(imidazo[1,2-b][1,2,4]triazine);imidazo[1,2-c]pyrimidine;imidazo[2,1-c][1,2,4]triazine;imidazo[2,1-f][1,2,4]triazine;1H-imidazole;1H-indazole;1H-indole;2H-isoindole;oxadiazole;1,2,5-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1H-pyrrolo[2,3-b]pyridine;2H-tetrazole;thiadiazole;1,2,5-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole has a molecular weight of 4792.70 g/mol, XLogP of 70.44, 0 rotatable bonds, 13 hydrogen bond donors, and 76 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazole;1-benzofuran;ethane;furan;imidazo[2,1-a]isoquinoline;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-a]quinazoline;imidazo[1,2-b]isoquinoline;imidazo[1,2-b]pyridazine;bis(1H-imidazo[4,5-b]pyridine);bis(imidazo[1,2-b][1,2,4]triazine);imidazo[1,2-c]pyrimidine;imidazo[2,1-c][1,2,4]triazine;imidazo[2,1-f][1,2,4]triazine;1H-imidazole;1H-indazole;1H-indole;2H-isoindole;oxadiazole;1,2,5-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1H-pyrrolo[2,3-b]pyridine;2H-tetrazole;thiadiazole;1,2,5-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole is sourced from PubChem (CID 157473083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).