1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;5,6-dihydrothieno[3,2-d][1,3]thiazole;ethane;1H-indazole;1H-indene;1H-indole;1,4,5,6-tetrahydrocyclopenta[d]imidazole

C122H201N11O3S4 — CID 157328189

IUPAC1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;5,6-dihydrothieno[3,2-d][1,3]thiazole;ethane;1H-indazole;1H-indene;1H-indole;1,4,5,6-tetrahydrocyclopenta[d]imidazole
SMILESC1=Cc2ccccc2C1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2[nH]ncc2c1.c1ccc2occc2c1.c1ccc2ocnc2c1.c1ccc2sccc2c1.c1ccc2scnc2c1.c1nc2c([nH]1)CCC2.c1nc2c(o1)CCC2.c1nc2c(s1)SCC2
InChIInChI=1S/C9H8.C8H7N.C8H6O.C8H6S.2C7H6N2.C7H5NO.C7H5NS.C6H8N2.C6H7NO.C5H5NS2.22C2H6/c1-2-5-9-7-3-6-8(9)4-1;3*1-2-4-8-7(3-1)5-6-9-8;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;2*1-2-4-7-6(3-1)8-5-9-7;2*1-2-5-6(3-1)8-4-7-5;1-2-7-5-4(1)6-3-8-5;22*1-2/h1-6H,7H2;1-6,9H;2*1-6H;2*1-5H,(H,8,9);2*1-5H;4H,1-3H2,(H,7,8);4H,1-3H2;3H,1-2H2;22*1-2H3
InChIKeyBEYXUYVTXGLGNP-UHFFFAOYSA-N
MW1998.29 g/mol
LogP43.44
Rot. Bonds

About 1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;5,6-dihydrothieno[3,2-d][1,3]thiazole;ethane;1H-indazole;1H-indene;1H-indole;1,4,5,6-tetrahydrocyclopenta[d]imidazole

1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;5,6-dihydrothieno[3,2-d][1,3]thiazole;ethane;1H-indazole;1H-indene;1H-indole;1,4,5,6-tetrahydrocyclopenta[d]imidazole (PubChem CID 157328189) has the molecular formula C122H201N11O3S4 and a molecular weight of 1998.29 g/mol. Its IUPAC name is 1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;5,6-dihydrothieno[3,2-d][1,3]thiazole;ethane;1H-indazole;1H-indene;1H-indole;1,4,5,6-tetrahydrocyclopenta[d]imidazole.

Molecular Properties

Compound Name1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;5,6-dihydrothieno[3,2-d][1,3]thiazole;ethane;1H-indazole;1H-indene;1H-indole;1,4,5,6-tetrahydrocyclopenta[d]imidazole
PubChem CID157328189
Molecular FormulaC122H201N11O3S4
Molecular Weight1998.29 g/mol
Exact Mass1996.48
IUPAC Name1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;5,6-dihydrothieno[3,2-d][1,3]thiazole;ethane;1H-indazole;1H-indene;1H-indole;1,4,5,6-tetrahydrocyclopenta[d]imidazole
SMILESC1=Cc2ccccc2C1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2[nH]ncc2c1.c1ccc2occc2c1.c1ccc2ocnc2c1.c1ccc2sccc2c1.c1ccc2scnc2c1.c1nc2c([nH]1)CCC2.c1nc2c(o1)CCC2.c1nc2c(s1)SCC2
InChIInChI=1S/C9H8.C8H7N.C8H6O.C8H6S.2C7H6N2.C7H5NO.C7H5NS.C6H8N2.C6H7NO.C5H5NS2.22C2H6/c1-2-5-9-7-3-6-8(9)4-1;3*1-2-4-8-7(3-1)5-6-9-8;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;2*1-2-4-7-6(3-1)8-5-9-7;2*1-2-5-6(3-1)8-4-7-5;1-2-7-5-4(1)6-3-8-5;22*1-2/h1-6H,7H2;1-6,9H;2*1-6H;2*1-5H,(H,8,9);2*1-5H;4H,1-3H2,(H,7,8);4H,1-3H2;3H,1-2H2;22*1-2H3
InChIKeyBEYXUYVTXGLGNP-UHFFFAOYSA-N
XLogP43.44
TPSA192.81 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001998.29
LogP ≤ 543.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze 1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;5,6-dihydrothieno[3,2-d][1,3]thiazole;ethane;1H-indazole;1H-indene;1H-indole;1,4,5,6-tetrahydrocyclopenta[d]imidazole with MolForge

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Related Compounds

1H-benzimidazole;1,3-benzodioxole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;2H-benzotriazole;1,3-benzoxazole;2,2-difluoro-1,3-benzodioxole;2,3-dihydro-1,4-benzodioxine;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;3,4-dihydro-2H-chromene;3,4-dihydro-2H-thiochromene;1H-indazole;1H-indole;quinazoline;quinoline;quinoxaline;2,2,3,3-tetrafluoro-1,4-benzodioxine
CID 160229436
2-[4-(1H-benzimidazol-2-yl)-2-(1,3-benzothiazol-2-yl)-3-(1H-indazol-3-yl)-6-(2H-isoindol-1-yl)phenyl]-1,3-benzoxazole
CID 141209815
2-[6-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-1-(furan-2-yl)-3-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-3-thiophen-2-yl-4H-pyridin-4-yl]-1H-indole
CID 141420395
CID 157053806
CID 157053806
1H-benzimidazole;1,3-benzothiazole;1,3-benzoxazole;cinnoline;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;2,3-dihydro-1H-indazole;2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;ethane;1H-imidazo[4,5-b]pyridine;1H-indazole;quinazoline;quinoline;quinoxaline;1,2,3,4-tetrahydrobenzo[g]quinoline;1,2,3,4-tetrahydrocinnoline;1,2,3,4-tetrahydroquinazoline;bis(1,2,3,4-tetrahydroquinoline)
CID 157055905
1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;2,3-dihydro-1H-benzimidazole;4,5-dihydro-1,2-oxazole;ethane;furan;1H-imidazole;1H-indole;2-methyl-1,3,5-triazine;4-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1H-pyrrole;quinoline;2H-tetrazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1,2,4-triazine
CID 157067399
1-benzofuran;1,3-benzothiazole;1-benzothiophene;2H-benzotriazole;1,3-benzoxazole;ethane;imidazo[1,2-a]pyridine;1H-indazole;1H-indole;pyrazolo[1,5-a]pyridine;1H-pyrazolo[3,4-b]pyrazine;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;1H-pyrazolo[4,5-c]pyridine;1H-pyrazolo[5,4-c]pyridine;1H-pyrazolo[3,4-d]pyrimidine;1H-pyrazolo[4,3-d]pyrimidine;5H-pyrrolo[2,3-b]pyrazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-triazolo[4,5-b]pyrazine;2H-triazolo[4,5-b]pyridine;2H-triazolo[4,5-c]pyridine;2H-triazolo[4,5-d]pyrimidine
CID 157069338
1H-benzimidazole;1,3-benzodioxole;1-benzofuran;1,3-benzothiazole;1,3-benzoxazole;3H-1,3-benzoxazol-2-one;chromen-2-one;2,3-dihydro-1-benzofuran;2,3-dihydro-1,3-benzoxazole;2,3-dihydro-1H-indene;ethane;1H-indazole;3H-indazole;methane;quinoline
CID 157072152
1H-benzimidazole;1,3-benzodioxole;1,3-benzothiazole;1,3-benzoxazole;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;6,7-dihydro-5H-cyclopenta[b]pyridine;6,7-dihydro-5H-cyclopenta[c]pyridine;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;ethane;1H-indazole
CID 157073439
1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;2H-benzotriazole;1,3-benzoxazole;ethane;furan;1H-imidazo[4,5-b]pyridine;1H-imidazole;1H-indazole;1H-indole;isoquinoline;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;pyridazine;pyridine;pyrimidine;1H-pyrrole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-c]pyridine;quinazoline;quinoline;quinoxaline;2H-tetrazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;bis(1H-1,2,4-triazole)
CID 157087052
5-(1-benzofuran-2-yl)-3-phenyl-1H-1,2,4-triazole;5-(1-benzothiophen-2-yl)-3-phenyl-1H-1,2,4-triazole;3-(furan-3-yl)-5-phenyl-1H-1,2,4-triazole;5-(furan-2-yl)-3-phenyl-1H-1,2,4-triazole;5-(1H-imidazol-2-yl)-3-phenyl-1H-1,2,4-triazole;molecular fluorine;3-naphthalen-2-yl-5-phenyl-1H-1,2,4-triazole;5-naphthalen-1-yl-3-phenyl-1H-1,2,4-triazole;3-phenyl-5-(1H-pyrrol-2-yl)-1H-1,2,4-triazole;3-phenyl-5-thiophen-2-yl-1H-1,2,4-triazole;2-(3-phenyl-1H-1,2,4-triazol-5-yl)-1,3-benzothiazole;2-(3-phenyl-1H-1,2,4-triazol-5-yl)-1,3-benzoxazole;2-(3-phenyl-1H-1,2,4-triazol-5-yl)-1H-indole;2-(3-phenyl-1H-1,2,4-triazol-5-yl)-1,3-oxazole;2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrazine;4-(5-phenyl-1H-1,2,4-triazol-3-yl)pyridazine;2-[3-(1,3,5-triazin-2-yl)-1H-1,2,4-triazol-5-yl]-1,3,5-triazine
CID 157109155
6-tert-butyl-2-propan-2-yl-1,3-benzothiazole;6-tert-butyl-2-propan-2-yl-1,3-benzoxazole;6-tert-butyl-2-propan-2-yl-1H-indole;7-tert-butyl-2-propan-2-yl-1H-indole;3,6-ditert-butyl-1-benzofuran;3,6-ditert-butyl-1-benzothiophene;3,6-ditert-butyl-1H-indole;1,4-di(propan-2-yl)cyclohexane;1,4-di(propan-2-yl)cyclohexene;1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1H-imidazole;1,3-di(propan-2-yl)imidazolidin-2-one;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)thiophene;3,5-di(propan-2-yl)-1H-1,2,4-triazole
CID 157120445

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;5,6-dihydrothieno[3,2-d][1,3]thiazole;ethane;1H-indazole;1H-indene;1H-indole;1,4,5,6-tetrahydrocyclopenta[d]imidazole?
The IUPAC name of 1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;5,6-dihydrothieno[3,2-d][1,3]thiazole;ethane;1H-indazole;1H-indene;1H-indole;1,4,5,6-tetrahydrocyclopenta[d]imidazole (CID 157328189) is 1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;5,6-dihydrothieno[3,2-d][1,3]thiazole;ethane;1H-indazole;1H-indene;1H-indole;1,4,5,6-tetrahydrocyclopenta[d]imidazole.
What is the SMILES notation for 1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;5,6-dihydrothieno[3,2-d][1,3]thiazole;ethane;1H-indazole;1H-indene;1H-indole;1,4,5,6-tetrahydrocyclopenta[d]imidazole?
The canonical SMILES for 1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;5,6-dihydrothieno[3,2-d][1,3]thiazole;ethane;1H-indazole;1H-indene;1H-indole;1,4,5,6-tetrahydrocyclopenta[d]imidazole is C1=Cc2ccccc2C1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2[nH]ncc2c1.c1ccc2occc2c1.c1ccc2ocnc2c1.c1ccc2sccc2c1.c1ccc2scnc2c1.c1nc2c([nH]1)CCC2.c1nc2c(o1)CCC2.c1nc2c(s1)SCC2.
What is the InChIKey of 1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;5,6-dihydrothieno[3,2-d][1,3]thiazole;ethane;1H-indazole;1H-indene;1H-indole;1,4,5,6-tetrahydrocyclopenta[d]imidazole?
The InChIKey is BEYXUYVTXGLGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8.C8H7N.C8H6O.C8H6S.2C7H6N2.C7H5NO.C7H5NS.C6H8N2.C6H7NO.C5H5NS2.22C2H6/c1-2-5-9-7-3-6-8(9)4-1;3*1-2-4-8-7(3-1)5-6-9-8;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;2*1-2-4-7-6(3-1)8-5-9-7;2*1-2-5-6(3-1)8-4-7-5;1-2-7-5-4(1)6-3-8-5;22*1-2/h1-6H,7H2;1-6,9H;2*1-6H;2*1-5H,(H,8,9);2*1-5H;4H,1-3H2,(H,7,8);4H,1-3H2;3H,1-2H2;22*1-2H3.
What are the key properties of 1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;5,6-dihydrothieno[3,2-d][1,3]thiazole;ethane;1H-indazole;1H-indene;1H-indole;1,4,5,6-tetrahydrocyclopenta[d]imidazole?
1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;5,6-dihydrothieno[3,2-d][1,3]thiazole;ethane;1H-indazole;1H-indene;1H-indole;1,4,5,6-tetrahydrocyclopenta[d]imidazole has a molecular weight of 1998.29 g/mol, XLogP of 43.44, 0 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;5,6-dihydrothieno[3,2-d][1,3]thiazole;ethane;1H-indazole;1H-indene;1H-indole;1,4,5,6-tetrahydrocyclopenta[d]imidazole is sourced from PubChem (CID 157328189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).