1H-benzimidazole;1,3-benzothiazole;2,1-benzothiazole;1,3-benzoxazole;2,1-benzoxazole;1H-imidazole;2H-indole;1,5-naphthyridine;1,8-naphthyridine;1,3,4-oxadiazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;quinazoline;quinoline;quinoxaline;1,3-thiazole;1,3,5-triazine

C115H96N32O4S3 — CID 159231996

About 1H-benzimidazole;1,3-benzothiazole;2,1-benzothiazole;1,3-benzoxazole;2,1-benzoxazole;1H-imidazole;2H-indole;1,5-naphthyridine;1,8-naphthyridine;1,3,4-oxadiazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;quinazoline;quinoline;quinoxaline;1,3-thiazole;1,3,5-triazine

1H-benzimidazole;1,3-benzothiazole;2,1-benzothiazole;1,3-benzoxazole;2,1-benzoxazole;1H-imidazole;2H-indole;1,5-naphthyridine;1,8-naphthyridine;1,3,4-oxadiazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;quinazoline;quinoline;quinoxaline;1,3-thiazole;1,3,5-triazine (PubChem CID 159231996) has the molecular formula C115H96N32O4S3 and a molecular weight of 2086.45 g/mol. Its IUPAC name is 1H-benzimidazole;1,3-benzothiazole;2,1-benzothiazole;1,3-benzoxazole;2,1-benzoxazole;1H-imidazole;2H-indole;1,5-naphthyridine;1,8-naphthyridine;1,3,4-oxadiazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;quinazoline;quinoline;quinoxaline;1,3-thiazole;1,3,5-triazine.

Molecular Properties

• Compound Name: 1H-benzimidazole;1,3-benzothiazole;2,1-benzothiazole;1,3-benzoxazole;2,1-benzoxazole;1H-imidazole;2H-indole;1,5-naphthyridine;1,8-naphthyridine;1,3,4-oxadiazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;quinazoline;quinoline;quinoxaline;1,3-thiazole;1,3,5-triazine
• PubChem CID: 159231996
• Molecular Formula: C115H96N32O4S3
• Molecular Weight: 2086.45 g/mol
• Exact Mass: 2084.75
• IUPAC Name: 1H-benzimidazole;1,3-benzothiazole;2,1-benzothiazole;1,3-benzoxazole;2,1-benzoxazole;1H-imidazole;2H-indole;1,5-naphthyridine;1,8-naphthyridine;1,3,4-oxadiazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;quinazoline;quinoline;quinoxaline;1,3-thiazole;1,3,5-triazine
• SMILES: C1=c2ccccc2=NC1.c1c[nH]cn1.c1ccc2[nH]cnc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2ncncc2c1.c1ccc2nocc2c1.c1ccc2nscc2c1.c1ccc2ocnc2c1.c1ccc2scnc2c1.c1ccncc1.c1ccnnc1.c1cnc2cccnc2c1.c1cnc2ncccc2c1.c1cnccn1.c1cncnc1.c1cocn1.c1cscn1.c1ncncn1.c1nnco1
• InChI: InChI=1S/C9H7N.4C8H6N2.C8H7N.C7H6N2.2C7H5NO.2C7H5NS.C5H5N.3C4H4N2.C3H3N3.C3H4N2.C3H3NO.C3H3NS.C2H2N2O/c1-2-6-9-8(4-1)5-3-7-10-9;1-3-7-8(9-5-1)4-2-6-10-7;1-3-7-4-2-6-10-8(7)9-5-1;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-8-7(3-1)5-6-9-8;2*1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-9-8-7;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-9-8-7;1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;1-4-2-6-3-5-1;3*1-2-5-3-4-1;1-3-4-2-5-1/h1-7H;4*1-6H;1-5H,6H2;1-5H,(H,8,9);4*1-5H;1-5H;3*1-4H;1-3H;1-3H,(H,4,5);2*1-3H;1-2H
• InChIKey: KTADVHUIRLOONJ-UHFFFAOYSA-N
• XLogP: 23.35
• TPSA: 470.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 37
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2086.45
LogP ≤ 5	23.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazole;1,3-benzothiazole;2,1-benzothiazole;1,3-benzoxazole;2,1-benzoxazole;1H-imidazole;2H-indole;1,5-naphthyridine;1,8-naphthyridine;1,3,4-oxadiazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;quinazoline;quinoline;quinoxaline;1,3-thiazole;1,3,5-triazine?

The IUPAC name of 1H-benzimidazole;1,3-benzothiazole;2,1-benzothiazole;1,3-benzoxazole;2,1-benzoxazole;1H-imidazole;2H-indole;1,5-naphthyridine;1,8-naphthyridine;1,3,4-oxadiazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;quinazoline;quinoline;quinoxaline;1,3-thiazole;1,3,5-triazine (CID 159231996) is 1H-benzimidazole;1,3-benzothiazole;2,1-benzothiazole;1,3-benzoxazole;2,1-benzoxazole;1H-imidazole;2H-indole;1,5-naphthyridine;1,8-naphthyridine;1,3,4-oxadiazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;quinazoline;quinoline;quinoxaline;1,3-thiazole;1,3,5-triazine.

What is the SMILES notation for 1H-benzimidazole;1,3-benzothiazole;2,1-benzothiazole;1,3-benzoxazole;2,1-benzoxazole;1H-imidazole;2H-indole;1,5-naphthyridine;1,8-naphthyridine;1,3,4-oxadiazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;quinazoline;quinoline;quinoxaline;1,3-thiazole;1,3,5-triazine?

The canonical SMILES for 1H-benzimidazole;1,3-benzothiazole;2,1-benzothiazole;1,3-benzoxazole;2,1-benzoxazole;1H-imidazole;2H-indole;1,5-naphthyridine;1,8-naphthyridine;1,3,4-oxadiazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;quinazoline;quinoline;quinoxaline;1,3-thiazole;1,3,5-triazine is C1=c2ccccc2=NC1.c1c[nH]cn1.c1ccc2[nH]cnc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2ncncc2c1.c1ccc2nocc2c1.c1ccc2nscc2c1.c1ccc2ocnc2c1.c1ccc2scnc2c1.c1ccncc1.c1ccnnc1.c1cnc2cccnc2c1.c1cnc2ncccc2c1.c1cnccn1.c1cncnc1.c1cocn1.c1cscn1.c1ncncn1.c1nnco1.

What is the InChIKey of 1H-benzimidazole;1,3-benzothiazole;2,1-benzothiazole;1,3-benzoxazole;2,1-benzoxazole;1H-imidazole;2H-indole;1,5-naphthyridine;1,8-naphthyridine;1,3,4-oxadiazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;quinazoline;quinoline;quinoxaline;1,3-thiazole;1,3,5-triazine?

The InChIKey is KTADVHUIRLOONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.4C8H6N2.C8H7N.C7H6N2.2C7H5NO.2C7H5NS.C5H5N.3C4H4N2.C3H3N3.C3H4N2.C3H3NO.C3H3NS.C2H2N2O/c1-2-6-9-8(4-1)5-3-7-10-9;1-3-7-8(9-5-1)4-2-6-10-7;1-3-7-4-2-6-10-8(7)9-5-1;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-8-7(3-1)5-6-9-8;2*1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-9-8-7;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-9-8-7;1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;1-4-2-6-3-5-1;3*1-2-5-3-4-1;1-3-4-2-5-1/h1-7H;4*1-6H;1-5H,6H2;1-5H,(H,8,9);4*1-5H;1-5H;3*1-4H;1-3H;1-3H,(H,4,5);2*1-3H;1-2H.

What are the key properties of 1H-benzimidazole;1,3-benzothiazole;2,1-benzothiazole;1,3-benzoxazole;2,1-benzoxazole;1H-imidazole;2H-indole;1,5-naphthyridine;1,8-naphthyridine;1,3,4-oxadiazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;quinazoline;quinoline;quinoxaline;1,3-thiazole;1,3,5-triazine?

1H-benzimidazole;1,3-benzothiazole;2,1-benzothiazole;1,3-benzoxazole;2,1-benzoxazole;1H-imidazole;2H-indole;1,5-naphthyridine;1,8-naphthyridine;1,3,4-oxadiazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;quinazoline;quinoline;quinoxaline;1,3-thiazole;1,3,5-triazine has a molecular weight of 2086.45 g/mol, XLogP of 23.35, 0 rotatable bonds, 2 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 1H-benzimidazole;1,3-benzothiazole;2,1-benzothiazole;1,3-benzoxazole;2,1-benzoxazole;1H-imidazole;2H-indole;1,5-naphthyridine;1,8-naphthyridine;1,3,4-oxadiazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;quinazoline;quinoline;quinoxaline;1,3-thiazole;1,3,5-triazine is sourced from PubChem (CID 159231996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).