1H-benzimidazole;1,2,3-benzothiadiazole;1-benzothiophene;furan;bis(1H-imidazole);1H-indole;isoquinoline;methane;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyrazolo[1,5-a]pyridine;pyridazine;pyridine;tris(pyrimidine);1H-pyrrole;quinazoline;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thiophene

C158H219N41O6S5 — CID 158213920

IUPAC1H-benzimidazole;1,2,3-benzothiadiazole;1-benzothiophene;furan;bis(1H-imidazole);1H-indole;isoquinoline;methane;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyrazolo[1,5-a]pyridine;pyridazine;pyridine;tris(pyrimidine);1H-pyrrole;quinazoline;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thiophene
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.c1c[nH]cn1.c1c[nH]cn1.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2ncncc2c1.c1ccc2sccc2c1.c1ccc2snnc2c1.c1ccn2nccc2c1.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cnccn1.c1cncnc1.c1cncnc1.c1cncnc1.c1cnoc1.c1cnon1.c1cnsc1.c1cocn1.c1cscn1.c1ncon1.c1nnco1
InChIInChI=1S/2C9H7N.2C8H6N2.C8H7N.C8H6S.2C7H6N2.C6H4N2S.C5H5N.5C4H4N2.C4H5N.C4H4O.C4H4S.3C3H4N2.2C3H3NO.2C3H3NS.3C2H2N2O.24CH4/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-8-7(3-1)9-5-6-10-8;2*1-2-4-8-7(3-1)5-6-9-8;1-2-6-9-7(3-1)4-5-8-9;1-2-4-7-6(3-1)8-5-9-7;1-2-4-6-5(3-1)7-8-9-6;1-2-4-6-5-3-1;1-2-6-4-3-5-1;3*1-2-5-4-6-3-1;1-2-4-6-5-3-1;3*1-2-4-5-3-1;2*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;1-3-4-2-5-1;1-3-2-5-4-1;1-2-4-5-3-1;;;;;;;;;;;;;;;;;;;;;;;;/h2*1-7H;2*1-6H;1-6,9H;2*1-6H;1-5H,(H,8,9);1-4H;1-5H;5*1-4H;1-5H;2*1-4H;3*1-3H,(H,4,5);4*1-3H;3*1-2H;24*1H4
InChIKeyGCKGMHXPJATGJQ-UHFFFAOYSA-N
MW2949.11 g/mol
LogP45.23
Rot. Bonds

About 1H-benzimidazole;1,2,3-benzothiadiazole;1-benzothiophene;furan;bis(1H-imidazole);1H-indole;isoquinoline;methane;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyrazolo[1,5-a]pyridine;pyridazine;pyridine;tris(pyrimidine);1H-pyrrole;quinazoline;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thiophene

1H-benzimidazole;1,2,3-benzothiadiazole;1-benzothiophene;furan;bis(1H-imidazole);1H-indole;isoquinoline;methane;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyrazolo[1,5-a]pyridine;pyridazine;pyridine;tris(pyrimidine);1H-pyrrole;quinazoline;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thiophene (PubChem CID 158213920) has the molecular formula C158H219N41O6S5 and a molecular weight of 2949.11 g/mol. Its IUPAC name is 1H-benzimidazole;1,2,3-benzothiadiazole;1-benzothiophene;furan;bis(1H-imidazole);1H-indole;isoquinoline;methane;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyrazolo[1,5-a]pyridine;pyridazine;pyridine;tris(pyrimidine);1H-pyrrole;quinazoline;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thiophene.

Molecular Properties

Compound Name1H-benzimidazole;1,2,3-benzothiadiazole;1-benzothiophene;furan;bis(1H-imidazole);1H-indole;isoquinoline;methane;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyrazolo[1,5-a]pyridine;pyridazine;pyridine;tris(pyrimidine);1H-pyrrole;quinazoline;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thiophene
PubChem CID158213920
Molecular FormulaC158H219N41O6S5
Molecular Weight2949.11 g/mol
Exact Mass2946.67
IUPAC Name1H-benzimidazole;1,2,3-benzothiadiazole;1-benzothiophene;furan;bis(1H-imidazole);1H-indole;isoquinoline;methane;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyrazolo[1,5-a]pyridine;pyridazine;pyridine;tris(pyrimidine);1H-pyrrole;quinazoline;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thiophene
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.c1c[nH]cn1.c1c[nH]cn1.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2ncncc2c1.c1ccc2sccc2c1.c1ccc2snnc2c1.c1ccn2nccc2c1.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cnccn1.c1cncnc1.c1cncnc1.c1cncnc1.c1cnoc1.c1cnon1.c1cnsc1.c1cocn1.c1cscn1.c1ncon1.c1nnco1
InChIInChI=1S/2C9H7N.2C8H6N2.C8H7N.C8H6S.2C7H6N2.C6H4N2S.C5H5N.5C4H4N2.C4H5N.C4H4O.C4H4S.3C3H4N2.2C3H3NO.2C3H3NS.3C2H2N2O.24CH4/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-8-7(3-1)9-5-6-10-8;2*1-2-4-8-7(3-1)5-6-9-8;1-2-6-9-7(3-1)4-5-8-9;1-2-4-7-6(3-1)8-5-9-7;1-2-4-6-5(3-1)7-8-9-6;1-2-4-6-5-3-1;1-2-6-4-3-5-1;3*1-2-5-4-6-3-1;1-2-4-6-5-3-1;3*1-2-4-5-3-1;2*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;1-3-4-2-5-1;1-3-2-5-4-1;1-2-4-5-3-1;;;;;;;;;;;;;;;;;;;;;;;;/h2*1-7H;2*1-6H;1-6,9H;2*1-6H;1-5H,(H,8,9);1-4H;1-5H;5*1-4H;1-5H;2*1-4H;3*1-3H,(H,4,5);4*1-3H;3*1-2H;24*1H4
InChIKeyGCKGMHXPJATGJQ-UHFFFAOYSA-N
XLogP45.23
TPSA616.25 Ų
H-Bond Donors6
H-Bond Acceptors46
Rotatable Bonds
Heavy Atoms210
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002949.11
LogP ≤ 545.23
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1046

Analyze 1H-benzimidazole;1,2,3-benzothiadiazole;1-benzothiophene;furan;bis(1H-imidazole);1H-indole;isoquinoline;methane;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyrazolo[1,5-a]pyridine;pyridazine;pyridine;tris(pyrimidine);1H-pyrrole;quinazoline;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thiophene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazole;1,2,3-benzothiadiazole;1-benzothiophene;furan;bis(1H-imidazole);1H-indole;isoquinoline;methane;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyrazolo[1,5-a]pyridine;pyridazine;pyridine;tris(pyrimidine);1H-pyrrole;quinazoline;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thiophene?
The IUPAC name of 1H-benzimidazole;1,2,3-benzothiadiazole;1-benzothiophene;furan;bis(1H-imidazole);1H-indole;isoquinoline;methane;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyrazolo[1,5-a]pyridine;pyridazine;pyridine;tris(pyrimidine);1H-pyrrole;quinazoline;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thiophene (CID 158213920) is 1H-benzimidazole;1,2,3-benzothiadiazole;1-benzothiophene;furan;bis(1H-imidazole);1H-indole;isoquinoline;methane;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyrazolo[1,5-a]pyridine;pyridazine;pyridine;tris(pyrimidine);1H-pyrrole;quinazoline;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thiophene.
What is the SMILES notation for 1H-benzimidazole;1,2,3-benzothiadiazole;1-benzothiophene;furan;bis(1H-imidazole);1H-indole;isoquinoline;methane;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyrazolo[1,5-a]pyridine;pyridazine;pyridine;tris(pyrimidine);1H-pyrrole;quinazoline;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thiophene?
The canonical SMILES for 1H-benzimidazole;1,2,3-benzothiadiazole;1-benzothiophene;furan;bis(1H-imidazole);1H-indole;isoquinoline;methane;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyrazolo[1,5-a]pyridine;pyridazine;pyridine;tris(pyrimidine);1H-pyrrole;quinazoline;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thiophene is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.c1c[nH]cn1.c1c[nH]cn1.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2ncncc2c1.c1ccc2sccc2c1.c1ccc2snnc2c1.c1ccn2nccc2c1.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cnccn1.c1cncnc1.c1cncnc1.c1cncnc1.c1cnoc1.c1cnon1.c1cnsc1.c1cocn1.c1cscn1.c1ncon1.c1nnco1.
What is the InChIKey of 1H-benzimidazole;1,2,3-benzothiadiazole;1-benzothiophene;furan;bis(1H-imidazole);1H-indole;isoquinoline;methane;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyrazolo[1,5-a]pyridine;pyridazine;pyridine;tris(pyrimidine);1H-pyrrole;quinazoline;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thiophene?
The InChIKey is GCKGMHXPJATGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H7N.2C8H6N2.C8H7N.C8H6S.2C7H6N2.C6H4N2S.C5H5N.5C4H4N2.C4H5N.C4H4O.C4H4S.3C3H4N2.2C3H3NO.2C3H3NS.3C2H2N2O.24CH4/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-8-7(3-1)9-5-6-10-8;2*1-2-4-8-7(3-1)5-6-9-8;1-2-6-9-7(3-1)4-5-8-9;1-2-4-7-6(3-1)8-5-9-7;1-2-4-6-5(3-1)7-8-9-6;1-2-4-6-5-3-1;1-2-6-4-3-5-1;3*1-2-5-4-6-3-1;1-2-4-6-5-3-1;3*1-2-4-5-3-1;2*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;1-3-4-2-5-1;1-3-2-5-4-1;1-2-4-5-3-1;;;;;;;;;;;;;;;;;;;;;;;;/h2*1-7H;2*1-6H;1-6,9H;2*1-6H;1-5H,(H,8,9);1-4H;1-5H;5*1-4H;1-5H;2*1-4H;3*1-3H,(H,4,5);4*1-3H;3*1-2H;24*1H4.
What are the key properties of 1H-benzimidazole;1,2,3-benzothiadiazole;1-benzothiophene;furan;bis(1H-imidazole);1H-indole;isoquinoline;methane;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyrazolo[1,5-a]pyridine;pyridazine;pyridine;tris(pyrimidine);1H-pyrrole;quinazoline;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thiophene?
1H-benzimidazole;1,2,3-benzothiadiazole;1-benzothiophene;furan;bis(1H-imidazole);1H-indole;isoquinoline;methane;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyrazolo[1,5-a]pyridine;pyridazine;pyridine;tris(pyrimidine);1H-pyrrole;quinazoline;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thiophene has a molecular weight of 2949.11 g/mol, XLogP of 45.23, 0 rotatable bonds, 6 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazole;1,2,3-benzothiadiazole;1-benzothiophene;furan;bis(1H-imidazole);1H-indole;isoquinoline;methane;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyrazolo[1,5-a]pyridine;pyridazine;pyridine;tris(pyrimidine);1H-pyrrole;quinazoline;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thiophene is sourced from PubChem (CID 158213920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).