1H-benzimidazole;bis(1-benzofuran);1,3-benzothiazole;bis(1-benzothiophene);1,3-benzoxazole;5H-cyclopenta[b]pyridine;tris(6H-cyclopenta[b]pyridine);5H-cyclopenta[c]pyridine;tris(6H-cyclopenta[c]pyridine);furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;tris(2H-indene);bis(1H-indole);tris(2H-indole);1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine

C254H207N29O7S7 — CID 157494026

IUPAC1H-benzimidazole;bis(1-benzofuran);1,3-benzothiazole;bis(1-benzothiophene);1,3-benzoxazole;5H-cyclopenta[b]pyridine;tris(6H-cyclopenta[b]pyridine);5H-cyclopenta[c]pyridine;tris(6H-cyclopenta[c]pyridine);furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;tris(2H-indene);bis(1H-indole);tris(2H-indole);1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine
SMILESC1=Cc2cnccc2C1.C1=Cc2ncccc2C1.C1=c2ccccc2=CC1.C1=c2ccccc2=CC1.C1=c2ccccc2=CC1.C1=c2ccccc2=NC1.C1=c2ccccc2=NC1.C1=c2ccccc2=NC1.C1=c2cccnc2=CC1.C1=c2cccnc2=CC1.C1=c2cccnc2=CC1.C1=c2ccncc2=CC1.C1=c2ccncc2=CC1.C1=c2ccncc2=CC1.c1cc2cc[nH]c2cn1.c1cc2ccoc2cn1.c1cc2ccsc2cn1.c1cc2occc2cn1.c1cc2sccc2cn1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2occc2c1.c1ccc2occc2c1.c1ccc2ocnc2c1.c1ccc2sccc2c1.c1ccc2sccc2c1.c1ccc2scnc2c1.c1cnc2[nH]ccc2c1.c1cnc2ccoc2c1.c1cnc2ccsc2c1.c1cnc2occc2c1.c1cnc2sccc2c1
InChIInChI=1S/3C9H8.13C8H7N.2C8H6O.2C8H6S.3C7H6N2.5C7H5NO.5C7H5NS/c3*1-2-5-9-7-3-6-8(9)4-1;4*1-3-7-4-2-6-9-8(7)5-1;4*1-2-7-4-5-9-6-8(7)3-1;9*1-2-4-8-7(3-1)5-6-9-8;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;1-3-8-5-6-2-4-9-7(1)6;1-3-8-5-7-6(1)2-4-9-7;1-2-7-6(8-4-1)3-5-9-7;1-2-6-3-5-9-7(6)8-4-1;1-2-4-7-6(3-1)8-5-9-7;1-3-8-5-6-2-4-9-7(1)6;1-3-8-5-7-6(1)2-4-9-7;1-2-7-6(8-4-1)3-5-9-7;1-2-6-3-5-9-7(6)8-4-1;1-2-4-7-6(3-1)8-5-9-7/h3*1-2,4-7H,3H2;3*2-6H,1H2;1-2,4-6H,3H2;3*2-6H,1H2;1,3-6H,2H2;3*1-5H,6H2;2*1-6,9H;4*1-6H;1-5,9H;2*1-5H,(H,8,9);10*1-5H
InChIKeyBXPMYIVPBAQUQV-UHFFFAOYSA-N
MW4002.11 g/mol
LogP46.15
Rot. Bonds

About 1H-benzimidazole;bis(1-benzofuran);1,3-benzothiazole;bis(1-benzothiophene);1,3-benzoxazole;5H-cyclopenta[b]pyridine;tris(6H-cyclopenta[b]pyridine);5H-cyclopenta[c]pyridine;tris(6H-cyclopenta[c]pyridine);furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;tris(2H-indene);bis(1H-indole);tris(2H-indole);1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine

1H-benzimidazole;bis(1-benzofuran);1,3-benzothiazole;bis(1-benzothiophene);1,3-benzoxazole;5H-cyclopenta[b]pyridine;tris(6H-cyclopenta[b]pyridine);5H-cyclopenta[c]pyridine;tris(6H-cyclopenta[c]pyridine);furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;tris(2H-indene);bis(1H-indole);tris(2H-indole);1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine (PubChem CID 157494026) has the molecular formula C254H207N29O7S7 and a molecular weight of 4002.11 g/mol. Its IUPAC name is 1H-benzimidazole;bis(1-benzofuran);1,3-benzothiazole;bis(1-benzothiophene);1,3-benzoxazole;5H-cyclopenta[b]pyridine;tris(6H-cyclopenta[b]pyridine);5H-cyclopenta[c]pyridine;tris(6H-cyclopenta[c]pyridine);furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;tris(2H-indene);bis(1H-indole);tris(2H-indole);1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine.

Molecular Properties

Compound Name1H-benzimidazole;bis(1-benzofuran);1,3-benzothiazole;bis(1-benzothiophene);1,3-benzoxazole;5H-cyclopenta[b]pyridine;tris(6H-cyclopenta[b]pyridine);5H-cyclopenta[c]pyridine;tris(6H-cyclopenta[c]pyridine);furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;tris(2H-indene);bis(1H-indole);tris(2H-indole);1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine
PubChem CID157494026
Molecular FormulaC254H207N29O7S7
Molecular Weight4002.11 g/mol
Exact Mass3998.48
IUPAC Name1H-benzimidazole;bis(1-benzofuran);1,3-benzothiazole;bis(1-benzothiophene);1,3-benzoxazole;5H-cyclopenta[b]pyridine;tris(6H-cyclopenta[b]pyridine);5H-cyclopenta[c]pyridine;tris(6H-cyclopenta[c]pyridine);furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;tris(2H-indene);bis(1H-indole);tris(2H-indole);1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine
SMILESC1=Cc2cnccc2C1.C1=Cc2ncccc2C1.C1=c2ccccc2=CC1.C1=c2ccccc2=CC1.C1=c2ccccc2=CC1.C1=c2ccccc2=NC1.C1=c2ccccc2=NC1.C1=c2ccccc2=NC1.C1=c2cccnc2=CC1.C1=c2cccnc2=CC1.C1=c2cccnc2=CC1.C1=c2ccncc2=CC1.C1=c2ccncc2=CC1.C1=c2ccncc2=CC1.c1cc2cc[nH]c2cn1.c1cc2ccoc2cn1.c1cc2ccsc2cn1.c1cc2occc2cn1.c1cc2sccc2cn1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2occc2c1.c1ccc2occc2c1.c1ccc2ocnc2c1.c1ccc2sccc2c1.c1ccc2sccc2c1.c1ccc2scnc2c1.c1cnc2[nH]ccc2c1.c1cnc2ccoc2c1.c1cnc2ccsc2c1.c1cnc2occc2c1.c1cnc2sccc2c1
InChIInChI=1S/3C9H8.13C8H7N.2C8H6O.2C8H6S.3C7H6N2.5C7H5NO.5C7H5NS/c3*1-2-5-9-7-3-6-8(9)4-1;4*1-3-7-4-2-6-9-8(7)5-1;4*1-2-7-4-5-9-6-8(7)3-1;9*1-2-4-8-7(3-1)5-6-9-8;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;1-3-8-5-6-2-4-9-7(1)6;1-3-8-5-7-6(1)2-4-9-7;1-2-7-6(8-4-1)3-5-9-7;1-2-6-3-5-9-7(6)8-4-1;1-2-4-7-6(3-1)8-5-9-7;1-3-8-5-6-2-4-9-7(1)6;1-3-8-5-7-6(1)2-4-9-7;1-2-7-6(8-4-1)3-5-9-7;1-2-6-3-5-9-7(6)8-4-1;1-2-4-7-6(3-1)8-5-9-7/h3*1-2,4-7H,3H2;3*2-6H,1H2;1-2,4-6H,3H2;3*2-6H,1H2;1,3-6H,2H2;3*1-5H,6H2;2*1-6,9H;4*1-6H;1-5,9H;2*1-5H,(H,8,9);10*1-5H
InChIKeyBXPMYIVPBAQUQV-UHFFFAOYSA-N
XLogP46.15
TPSA478.70 Ų
H-Bond Donors5
H-Bond Acceptors38
Rotatable Bonds
Heavy Atoms297
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004002.11
LogP ≤ 546.15
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1038

Analyze 1H-benzimidazole;bis(1-benzofuran);1,3-benzothiazole;bis(1-benzothiophene);1,3-benzoxazole;5H-cyclopenta[b]pyridine;tris(6H-cyclopenta[b]pyridine);5H-cyclopenta[c]pyridine;tris(6H-cyclopenta[c]pyridine);furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;tris(2H-indene);bis(1H-indole);tris(2H-indole);1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine 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-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
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
1H-benzimidazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,3-benzothiazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,3-benzoxazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-imidazo[4,5-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-piperidin-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-pyrrol-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 158306259
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
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
6-[4-(1,1-Difluoroethoxy)phenyl]-1-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-(4-methoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzothiazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-oxazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-thiazole
CID 160025166
6-[4-(1,1-difluoroethoxy)phenyl]-1-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-(4-methoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;methyl (E)-3-[6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]prop-2-enoate;6-(4-phenoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzothiazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-oxazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-thiazole
CID 160204499
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
6-[4-(1,1-Difluoroethoxy)phenyl]-1-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-(4-methoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzothiazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzoxazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-oxazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-thiazole
CID 160592384
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
1-cyclopentyl-3-propan-2-ylbenzene;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;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[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 161044231

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazole;bis(1-benzofuran);1,3-benzothiazole;bis(1-benzothiophene);1,3-benzoxazole;5H-cyclopenta[b]pyridine;tris(6H-cyclopenta[b]pyridine);5H-cyclopenta[c]pyridine;tris(6H-cyclopenta[c]pyridine);furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;tris(2H-indene);bis(1H-indole);tris(2H-indole);1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine?
The IUPAC name of 1H-benzimidazole;bis(1-benzofuran);1,3-benzothiazole;bis(1-benzothiophene);1,3-benzoxazole;5H-cyclopenta[b]pyridine;tris(6H-cyclopenta[b]pyridine);5H-cyclopenta[c]pyridine;tris(6H-cyclopenta[c]pyridine);furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;tris(2H-indene);bis(1H-indole);tris(2H-indole);1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine (CID 157494026) is 1H-benzimidazole;bis(1-benzofuran);1,3-benzothiazole;bis(1-benzothiophene);1,3-benzoxazole;5H-cyclopenta[b]pyridine;tris(6H-cyclopenta[b]pyridine);5H-cyclopenta[c]pyridine;tris(6H-cyclopenta[c]pyridine);furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;tris(2H-indene);bis(1H-indole);tris(2H-indole);1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine.
What is the SMILES notation for 1H-benzimidazole;bis(1-benzofuran);1,3-benzothiazole;bis(1-benzothiophene);1,3-benzoxazole;5H-cyclopenta[b]pyridine;tris(6H-cyclopenta[b]pyridine);5H-cyclopenta[c]pyridine;tris(6H-cyclopenta[c]pyridine);furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;tris(2H-indene);bis(1H-indole);tris(2H-indole);1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine?
The canonical SMILES for 1H-benzimidazole;bis(1-benzofuran);1,3-benzothiazole;bis(1-benzothiophene);1,3-benzoxazole;5H-cyclopenta[b]pyridine;tris(6H-cyclopenta[b]pyridine);5H-cyclopenta[c]pyridine;tris(6H-cyclopenta[c]pyridine);furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;tris(2H-indene);bis(1H-indole);tris(2H-indole);1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine is C1=Cc2cnccc2C1.C1=Cc2ncccc2C1.C1=c2ccccc2=CC1.C1=c2ccccc2=CC1.C1=c2ccccc2=CC1.C1=c2ccccc2=NC1.C1=c2ccccc2=NC1.C1=c2ccccc2=NC1.C1=c2cccnc2=CC1.C1=c2cccnc2=CC1.C1=c2cccnc2=CC1.C1=c2ccncc2=CC1.C1=c2ccncc2=CC1.C1=c2ccncc2=CC1.c1cc2cc[nH]c2cn1.c1cc2ccoc2cn1.c1cc2ccsc2cn1.c1cc2occc2cn1.c1cc2sccc2cn1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2occc2c1.c1ccc2occc2c1.c1ccc2ocnc2c1.c1ccc2sccc2c1.c1ccc2sccc2c1.c1ccc2scnc2c1.c1cnc2[nH]ccc2c1.c1cnc2ccoc2c1.c1cnc2ccsc2c1.c1cnc2occc2c1.c1cnc2sccc2c1.
What is the InChIKey of 1H-benzimidazole;bis(1-benzofuran);1,3-benzothiazole;bis(1-benzothiophene);1,3-benzoxazole;5H-cyclopenta[b]pyridine;tris(6H-cyclopenta[b]pyridine);5H-cyclopenta[c]pyridine;tris(6H-cyclopenta[c]pyridine);furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;tris(2H-indene);bis(1H-indole);tris(2H-indole);1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine?
The InChIKey is BXPMYIVPBAQUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H8.13C8H7N.2C8H6O.2C8H6S.3C7H6N2.5C7H5NO.5C7H5NS/c3*1-2-5-9-7-3-6-8(9)4-1;4*1-3-7-4-2-6-9-8(7)5-1;4*1-2-7-4-5-9-6-8(7)3-1;9*1-2-4-8-7(3-1)5-6-9-8;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;1-3-8-5-6-2-4-9-7(1)6;1-3-8-5-7-6(1)2-4-9-7;1-2-7-6(8-4-1)3-5-9-7;1-2-6-3-5-9-7(6)8-4-1;1-2-4-7-6(3-1)8-5-9-7;1-3-8-5-6-2-4-9-7(1)6;1-3-8-5-7-6(1)2-4-9-7;1-2-7-6(8-4-1)3-5-9-7;1-2-6-3-5-9-7(6)8-4-1;1-2-4-7-6(3-1)8-5-9-7/h3*1-2,4-7H,3H2;3*2-6H,1H2;1-2,4-6H,3H2;3*2-6H,1H2;1,3-6H,2H2;3*1-5H,6H2;2*1-6,9H;4*1-6H;1-5,9H;2*1-5H,(H,8,9);10*1-5H.
What are the key properties of 1H-benzimidazole;bis(1-benzofuran);1,3-benzothiazole;bis(1-benzothiophene);1,3-benzoxazole;5H-cyclopenta[b]pyridine;tris(6H-cyclopenta[b]pyridine);5H-cyclopenta[c]pyridine;tris(6H-cyclopenta[c]pyridine);furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;tris(2H-indene);bis(1H-indole);tris(2H-indole);1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine?
1H-benzimidazole;bis(1-benzofuran);1,3-benzothiazole;bis(1-benzothiophene);1,3-benzoxazole;5H-cyclopenta[b]pyridine;tris(6H-cyclopenta[b]pyridine);5H-cyclopenta[c]pyridine;tris(6H-cyclopenta[c]pyridine);furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;tris(2H-indene);bis(1H-indole);tris(2H-indole);1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine has a molecular weight of 4002.11 g/mol, XLogP of 46.15, 0 rotatable bonds, 5 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazole;bis(1-benzofuran);1,3-benzothiazole;bis(1-benzothiophene);1,3-benzoxazole;5H-cyclopenta[b]pyridine;tris(6H-cyclopenta[b]pyridine);5H-cyclopenta[c]pyridine;tris(6H-cyclopenta[c]pyridine);furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;tris(2H-indene);bis(1H-indole);tris(2H-indole);1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine is sourced from PubChem (CID 157494026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).