1H-benzimidazole;1,2,3-benzothiadiazole;1-benzothiophene;furan;1H-imidazole;1H-indole;naphthalene;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;3H-pyrazole;pyrazolo[1,5-a]pyridine;bis(pyridine);pyrimidine;1H-pyrrole;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thiophene;1,3,5-triazine

C130H119N33O3S5 — CID 157120792

About 1H-benzimidazole;1,2,3-benzothiadiazole;1-benzothiophene;furan;1H-imidazole;1H-indole;naphthalene;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;3H-pyrazole;pyrazolo[1,5-a]pyridine;bis(pyridine);pyrimidine;1H-pyrrole;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thiophene;1,3,5-triazine

1H-benzimidazole;1,2,3-benzothiadiazole;1-benzothiophene;furan;1H-imidazole;1H-indole;naphthalene;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;3H-pyrazole;pyrazolo[1,5-a]pyridine;bis(pyridine);pyrimidine;1H-pyrrole;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thiophene;1,3,5-triazine (PubChem CID 157120792) has the molecular formula C130H119N33O3S5 and a molecular weight of 2351.94 g/mol. Its IUPAC name is 1H-benzimidazole;1,2,3-benzothiadiazole;1-benzothiophene;furan;1H-imidazole;1H-indole;naphthalene;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;3H-pyrazole;pyrazolo[1,5-a]pyridine;bis(pyridine);pyrimidine;1H-pyrrole;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thiophene;1,3,5-triazine.

Molecular Properties

• Compound Name: 1H-benzimidazole;1,2,3-benzothiadiazole;1-benzothiophene;furan;1H-imidazole;1H-indole;naphthalene;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;3H-pyrazole;pyrazolo[1,5-a]pyridine;bis(pyridine);pyrimidine;1H-pyrrole;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thiophene;1,3,5-triazine
• PubChem CID: 157120792
• Molecular Formula: C130H119N33O3S5
• Molecular Weight: 2351.94 g/mol
• Exact Mass: 2349.88
• IUPAC Name: 1H-benzimidazole;1,2,3-benzothiadiazole;1-benzothiophene;furan;1H-imidazole;1H-indole;naphthalene;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;3H-pyrazole;pyrazolo[1,5-a]pyridine;bis(pyridine);pyrimidine;1H-pyrrole;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thiophene;1,3,5-triazine
• SMILES: C1=CN=NC1.c1c[nH]cn1.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2ccccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2sccc2c1.c1ccc2snnc2c1.c1ccn2nccc2c1.c1ccncc1.c1ccncc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cnccn1.c1cnccn1.c1cncnc1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1.c1ncncn1
• InChI: InChI=1S/C10H8.2C9H7N.C8H6N2.C8H7N.C8H6S.2C7H6N2.C6H4N2S.2C5H5N.3C4H4N2.C4H5N.C4H4O.C4H4S.C3H3N3.3C3H4N2.2C3H3NO.2C3H3NS/c1-2-6-10-8-4-3-7-9(10)5-1;2*1-2-6-9-8(4-1)5-3-7-10-9;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;2*1-2-4-6-5-3-1;2*1-2-6-4-3-5-1;1-2-5-4-6-3-1;3*1-2-4-5-3-1;1-4-2-6-3-5-1;1-2-5-3-4-1;2*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/h1-8H;2*1-7H;1-6H;1-6,9H;2*1-6H;1-5H,(H,8,9);1-4H;2*1-5H;3*1-4H;1-5H;2*1-4H;1-3H;1-3H,(H,4,5);1-2H,3H2;1-3H,(H,4,5);4*1-3H
• InChIKey: AHYGHNUBSBOEIL-UHFFFAOYSA-N
• XLogP: 31.52
• TPSA: 469.75 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 36
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2351.94
LogP ≤ 5	31.52
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazole;1,2,3-benzothiadiazole;1-benzothiophene;furan;1H-imidazole;1H-indole;naphthalene;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;3H-pyrazole;pyrazolo[1,5-a]pyridine;bis(pyridine);pyrimidine;1H-pyrrole;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thiophene;1,3,5-triazine?

The IUPAC name of 1H-benzimidazole;1,2,3-benzothiadiazole;1-benzothiophene;furan;1H-imidazole;1H-indole;naphthalene;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;3H-pyrazole;pyrazolo[1,5-a]pyridine;bis(pyridine);pyrimidine;1H-pyrrole;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thiophene;1,3,5-triazine (CID 157120792) is 1H-benzimidazole;1,2,3-benzothiadiazole;1-benzothiophene;furan;1H-imidazole;1H-indole;naphthalene;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;3H-pyrazole;pyrazolo[1,5-a]pyridine;bis(pyridine);pyrimidine;1H-pyrrole;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thiophene;1,3,5-triazine.

What is the SMILES notation for 1H-benzimidazole;1,2,3-benzothiadiazole;1-benzothiophene;furan;1H-imidazole;1H-indole;naphthalene;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;3H-pyrazole;pyrazolo[1,5-a]pyridine;bis(pyridine);pyrimidine;1H-pyrrole;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thiophene;1,3,5-triazine?

The canonical SMILES for 1H-benzimidazole;1,2,3-benzothiadiazole;1-benzothiophene;furan;1H-imidazole;1H-indole;naphthalene;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;3H-pyrazole;pyrazolo[1,5-a]pyridine;bis(pyridine);pyrimidine;1H-pyrrole;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thiophene;1,3,5-triazine is C1=CN=NC1.c1c[nH]cn1.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2ccccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2sccc2c1.c1ccc2snnc2c1.c1ccn2nccc2c1.c1ccncc1.c1ccncc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cnccn1.c1cnccn1.c1cncnc1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1.c1ncncn1.

What is the InChIKey of 1H-benzimidazole;1,2,3-benzothiadiazole;1-benzothiophene;furan;1H-imidazole;1H-indole;naphthalene;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;3H-pyrazole;pyrazolo[1,5-a]pyridine;bis(pyridine);pyrimidine;1H-pyrrole;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thiophene;1,3,5-triazine?

The InChIKey is AHYGHNUBSBOEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.2C9H7N.C8H6N2.C8H7N.C8H6S.2C7H6N2.C6H4N2S.2C5H5N.3C4H4N2.C4H5N.C4H4O.C4H4S.C3H3N3.3C3H4N2.2C3H3NO.2C3H3NS/c1-2-6-10-8-4-3-7-9(10)5-1;2*1-2-6-9-8(4-1)5-3-7-10-9;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;2*1-2-4-6-5-3-1;2*1-2-6-4-3-5-1;1-2-5-4-6-3-1;3*1-2-4-5-3-1;1-4-2-6-3-5-1;1-2-5-3-4-1;2*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/h1-8H;2*1-7H;1-6H;1-6,9H;2*1-6H;1-5H,(H,8,9);1-4H;2*1-5H;3*1-4H;1-5H;2*1-4H;1-3H;1-3H,(H,4,5);1-2H,3H2;1-3H,(H,4,5);4*1-3H.

What are the key properties of 1H-benzimidazole;1,2,3-benzothiadiazole;1-benzothiophene;furan;1H-imidazole;1H-indole;naphthalene;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;3H-pyrazole;pyrazolo[1,5-a]pyridine;bis(pyridine);pyrimidine;1H-pyrrole;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thiophene;1,3,5-triazine?

1H-benzimidazole;1,2,3-benzothiadiazole;1-benzothiophene;furan;1H-imidazole;1H-indole;naphthalene;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;3H-pyrazole;pyrazolo[1,5-a]pyridine;bis(pyridine);pyrimidine;1H-pyrrole;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thiophene;1,3,5-triazine has a molecular weight of 2351.94 g/mol, XLogP of 31.52, 0 rotatable bonds, 5 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 1H-benzimidazole;1,2,3-benzothiadiazole;1-benzothiophene;furan;1H-imidazole;1H-indole;naphthalene;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;3H-pyrazole;pyrazolo[1,5-a]pyridine;bis(pyridine);pyrimidine;1H-pyrrole;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thiophene;1,3,5-triazine is sourced from PubChem (CID 157120792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).