benzene;1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;furan;1H-imidazole;1H-indazole;1H-indene;2H-isoindole;isoquinoline;methane;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;7H-purine;pyrazine;1H-pyrazole;pyridazine;pyridine;1H-pyrrole;quinoline;quinolizin-5-ium;thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;1,3,5-triazine;2H-triazole

C153H144N49O9S7+ — CID 157206192

About benzene;1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;furan;1H-imidazole;1H-indazole;1H-indene;2H-isoindole;isoquinoline;methane;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;7H-purine;pyrazine;1H-pyrazole;pyridazine;pyridine;1H-pyrrole;quinoline;quinolizin-5-ium;thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;1,3,5-triazine;2H-triazole

benzene;1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;furan;1H-imidazole;1H-indazole;1H-indene;2H-isoindole;isoquinoline;methane;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;7H-purine;pyrazine;1H-pyrazole;pyridazine;pyridine;1H-pyrrole;quinoline;quinolizin-5-ium;thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;1,3,5-triazine;2H-triazole (PubChem CID 157206192) has the molecular formula C153H144N49O9S7+ and a molecular weight of 3037.64 g/mol. Its IUPAC name is benzene;1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;furan;1H-imidazole;1H-indazole;1H-indene;2H-isoindole;isoquinoline;methane;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;7H-purine;pyrazine;1H-pyrazole;pyridazine;pyridine;1H-pyrrole;quinoline;quinolizin-5-ium;thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;1,3,5-triazine;2H-triazole.

Molecular Properties

• Compound Name: benzene;1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;furan;1H-imidazole;1H-indazole;1H-indene;2H-isoindole;isoquinoline;methane;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;7H-purine;pyrazine;1H-pyrazole;pyridazine;pyridine;1H-pyrrole;quinoline;quinolizin-5-ium;thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;1,3,5-triazine;2H-triazole
• PubChem CID: 157206192
• Molecular Formula: C153H144N49O9S7+
• Molecular Weight: 3037.64 g/mol
• Exact Mass: 3035.04
• IUPAC Name: benzene;1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;furan;1H-imidazole;1H-indazole;1H-indene;2H-isoindole;isoquinoline;methane;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;7H-purine;pyrazine;1H-pyrazole;pyridazine;pyridine;1H-pyrrole;quinoline;quinolizin-5-ium;thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;1,3,5-triazine;2H-triazole
• SMILES: C.C1=Cc2ccccc2C1.c1c[nH]cn1.c1cc[n+]2ccccc2c1.c1cc[nH]c1.c1ccc2[nH]cnc2c1.c1ccc2[nH]ncc2c1.c1ccc2c[nH]cc2c1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccc2occc2c1.c1ccc2sccc2c1.c1ccc2scnc2c1.c1ccccc1.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cn[nH]n1.c1cnccn1.c1cnoc1.c1cnon1.c1cnsc1.c1cocn1.c1cscn1.c1csnn1.c1ncc2[nH]cnc2n1.c1ncncn1.c1ncon1.c1nnco1.c1nncs1.c1nnno1.c1nnon1
• InChI: InChI=1S/C9H8N.2C9H7N.C9H8.C8H7N.C8H6O.C8H6S.2C7H6N2.C7H5NS.C6H6.C5H4N4.C5H5N.2C4H4N2.C4H5N.C4H4O.C4H4S.C3H3N3.2C3H4N2.2C3H3NO.2C3H3NS.C2H3N3.3C2H2N2O.2C2H2N2S.2CHN3O.CH4/c1-3-7-10-8-4-2-6-9(10)5-1;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-5-9-7-3-6-8(9)4-1;1-2-4-8-6-9-5-7(8)3-1;2*1-2-4-8-7(3-1)5-6-9-8;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;1-2-4-7-6(3-1)8-5-9-7;1-2-4-6-5-3-1;1-4-5(8-2-6-1)9-3-7-4;1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-4-6-5-3-1;3*1-2-4-5-3-1;1-4-2-6-3-5-1;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;2*1-2-4-5-3-1;1-3-4-2-5-1;1-3-2-5-4-1;1-2-4-5-3-1;1-3-4-2-5-1;1-2-5-4-3-1;1-2-3-4-5-1;1-2-4-5-3-1;/h1-8H;2*1-7H;1-6H,7H2;1-6,9H;2*1-6H;2*1-5H,(H,8,9);1-5H;1-6H;1-3H,(H,6,7,8,9);1-5H;2*1-4H;1-5H;2*1-4H;1-3H;2*1-3H,(H,4,5);4*1-3H;1-2H,(H,3,4,5);5*1-2H;2*1H;1H4/q+1
• InChIKey: RMMGYYMIUGRJBJ-UHFFFAOYSA-N
• XLogP: 34.17
• TPSA: 764.28 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 56
• Heavy Atoms: 218
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3037.64
LogP ≤ 5	34.17
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	56

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzene;1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;furan;1H-imidazole;1H-indazole;1H-indene;2H-isoindole;isoquinoline;methane;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;7H-purine;pyrazine;1H-pyrazole;pyridazine;pyridine;1H-pyrrole;quinoline;quinolizin-5-ium;thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;1,3,5-triazine;2H-triazole?

The IUPAC name of benzene;1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;furan;1H-imidazole;1H-indazole;1H-indene;2H-isoindole;isoquinoline;methane;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;7H-purine;pyrazine;1H-pyrazole;pyridazine;pyridine;1H-pyrrole;quinoline;quinolizin-5-ium;thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;1,3,5-triazine;2H-triazole (CID 157206192) is benzene;1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;furan;1H-imidazole;1H-indazole;1H-indene;2H-isoindole;isoquinoline;methane;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;7H-purine;pyrazine;1H-pyrazole;pyridazine;pyridine;1H-pyrrole;quinoline;quinolizin-5-ium;thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;1,3,5-triazine;2H-triazole.

What is the SMILES notation for benzene;1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;furan;1H-imidazole;1H-indazole;1H-indene;2H-isoindole;isoquinoline;methane;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;7H-purine;pyrazine;1H-pyrazole;pyridazine;pyridine;1H-pyrrole;quinoline;quinolizin-5-ium;thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;1,3,5-triazine;2H-triazole?

The canonical SMILES for benzene;1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;furan;1H-imidazole;1H-indazole;1H-indene;2H-isoindole;isoquinoline;methane;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;7H-purine;pyrazine;1H-pyrazole;pyridazine;pyridine;1H-pyrrole;quinoline;quinolizin-5-ium;thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;1,3,5-triazine;2H-triazole is C.C1=Cc2ccccc2C1.c1c[nH]cn1.c1cc[n+]2ccccc2c1.c1cc[nH]c1.c1ccc2[nH]cnc2c1.c1ccc2[nH]ncc2c1.c1ccc2c[nH]cc2c1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccc2occc2c1.c1ccc2sccc2c1.c1ccc2scnc2c1.c1ccccc1.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cn[nH]n1.c1cnccn1.c1cnoc1.c1cnon1.c1cnsc1.c1cocn1.c1cscn1.c1csnn1.c1ncc2[nH]cnc2n1.c1ncncn1.c1ncon1.c1nnco1.c1nncs1.c1nnno1.c1nnon1.

What is the InChIKey of benzene;1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;furan;1H-imidazole;1H-indazole;1H-indene;2H-isoindole;isoquinoline;methane;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;7H-purine;pyrazine;1H-pyrazole;pyridazine;pyridine;1H-pyrrole;quinoline;quinolizin-5-ium;thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;1,3,5-triazine;2H-triazole?

The InChIKey is RMMGYYMIUGRJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N.2C9H7N.C9H8.C8H7N.C8H6O.C8H6S.2C7H6N2.C7H5NS.C6H6.C5H4N4.C5H5N.2C4H4N2.C4H5N.C4H4O.C4H4S.C3H3N3.2C3H4N2.2C3H3NO.2C3H3NS.C2H3N3.3C2H2N2O.2C2H2N2S.2CHN3O.CH4/c1-3-7-10-8-4-2-6-9(10)5-1;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-5-9-7-3-6-8(9)4-1;1-2-4-8-6-9-5-7(8)3-1;2*1-2-4-8-7(3-1)5-6-9-8;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;1-2-4-7-6(3-1)8-5-9-7;1-2-4-6-5-3-1;1-4-5(8-2-6-1)9-3-7-4;1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-4-6-5-3-1;3*1-2-4-5-3-1;1-4-2-6-3-5-1;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;2*1-2-4-5-3-1;1-3-4-2-5-1;1-3-2-5-4-1;1-2-4-5-3-1;1-3-4-2-5-1;1-2-5-4-3-1;1-2-3-4-5-1;1-2-4-5-3-1;/h1-8H;2*1-7H;1-6H,7H2;1-6,9H;2*1-6H;2*1-5H,(H,8,9);1-5H;1-6H;1-3H,(H,6,7,8,9);1-5H;2*1-4H;1-5H;2*1-4H;1-3H;2*1-3H,(H,4,5);4*1-3H;1-2H,(H,3,4,5);5*1-2H;2*1H;1H4/q+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;.

What are the key properties of benzene;1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;furan;1H-imidazole;1H-indazole;1H-indene;2H-isoindole;isoquinoline;methane;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;7H-purine;pyrazine;1H-pyrazole;pyridazine;pyridine;1H-pyrrole;quinoline;quinolizin-5-ium;thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;1,3,5-triazine;2H-triazole?

benzene;1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;furan;1H-imidazole;1H-indazole;1H-indene;2H-isoindole;isoquinoline;methane;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;7H-purine;pyrazine;1H-pyrazole;pyridazine;pyridine;1H-pyrrole;quinoline;quinolizin-5-ium;thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;1,3,5-triazine;2H-triazole has a molecular weight of 3037.64 g/mol, XLogP of 34.17, 0 rotatable bonds, 8 hydrogen bond donors, and 56 hydrogen bond acceptors.

Where does this data come from?

All data for benzene;1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;furan;1H-imidazole;1H-indazole;1H-indene;2H-isoindole;isoquinoline;methane;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;7H-purine;pyrazine;1H-pyrazole;pyridazine;pyridine;1H-pyrrole;quinoline;quinolizin-5-ium;thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;1,3,5-triazine;2H-triazole is sourced from PubChem (CID 157206192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).