1H-benzimidazole;bis(3H-benzo[e]benzimidazole);imidazo[1,2-a]pyridine;1H-imidazo[4,5-b]pyrazine;bis(1H-imidazo[4,5-b]pyridine);1H-imidazole;1,3-oxazole;1,10-phenanthroline;bis(7H-purine);pyrazine;pyridine;2-pyridin-2-ylpyridine;pyrimidine;1,3-thiazole;1,3,5-triazine

C110H92N42OS — CID 158384185

About 1H-benzimidazole;bis(3H-benzo[e]benzimidazole);imidazo[1,2-a]pyridine;1H-imidazo[4,5-b]pyrazine;bis(1H-imidazo[4,5-b]pyridine);1H-imidazole;1,3-oxazole;1,10-phenanthroline;bis(7H-purine);pyrazine;pyridine;2-pyridin-2-ylpyridine;pyrimidine;1,3-thiazole;1,3,5-triazine

1H-benzimidazole;bis(3H-benzo[e]benzimidazole);imidazo[1,2-a]pyridine;1H-imidazo[4,5-b]pyrazine;bis(1H-imidazo[4,5-b]pyridine);1H-imidazole;1,3-oxazole;1,10-phenanthroline;bis(7H-purine);pyrazine;pyridine;2-pyridin-2-ylpyridine;pyrimidine;1,3-thiazole;1,3,5-triazine (PubChem CID 158384185) has the molecular formula C110H92N42OS and a molecular weight of 2050.31 g/mol. Its IUPAC name is 1H-benzimidazole;bis(3H-benzo[e]benzimidazole);imidazo[1,2-a]pyridine;1H-imidazo[4,5-b]pyrazine;bis(1H-imidazo[4,5-b]pyridine);1H-imidazole;1,3-oxazole;1,10-phenanthroline;bis(7H-purine);pyrazine;pyridine;2-pyridin-2-ylpyridine;pyrimidine;1,3-thiazole;1,3,5-triazine.

Molecular Properties

• Compound Name: 1H-benzimidazole;bis(3H-benzo[e]benzimidazole);imidazo[1,2-a]pyridine;1H-imidazo[4,5-b]pyrazine;bis(1H-imidazo[4,5-b]pyridine);1H-imidazole;1,3-oxazole;1,10-phenanthroline;bis(7H-purine);pyrazine;pyridine;2-pyridin-2-ylpyridine;pyrimidine;1,3-thiazole;1,3,5-triazine
• PubChem CID: 158384185
• Molecular Formula: C110H92N42OS
• Molecular Weight: 2050.31 g/mol
• Exact Mass: 2048.82
• IUPAC Name: 1H-benzimidazole;bis(3H-benzo[e]benzimidazole);imidazo[1,2-a]pyridine;1H-imidazo[4,5-b]pyrazine;bis(1H-imidazo[4,5-b]pyridine);1H-imidazole;1,3-oxazole;1,10-phenanthroline;bis(7H-purine);pyrazine;pyridine;2-pyridin-2-ylpyridine;pyrimidine;1,3-thiazole;1,3,5-triazine
• SMILES: c1c[nH]cn1.c1ccc(-c2ccccn2)nc1.c1ccc2[nH]cnc2c1.c1ccc2c(c1)ccc1[nH]cnc12.c1ccc2c(c1)ccc1[nH]cnc12.c1ccn2ccnc2c1.c1ccncc1.c1cnc2[nH]cnc2n1.c1cnc2c(c1)ccc1cccnc12.c1cnc2nc[nH]c2c1.c1cnc2nc[nH]c2c1.c1cnccn1.c1cncnc1.c1cocn1.c1cscn1.c1ncc2[nH]cnc2n1.c1ncc2[nH]cnc2n1.c1ncncn1
• InChI: InChI=1S/C12H8N2.2C11H8N2.C10H8N2.2C7H6N2.2C6H5N3.3C5H4N4.C5H5N.2C4H4N2.C3H3N3.C3H4N2.C3H3NO.C3H3NS/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*1-2-4-9-8(3-1)5-6-10-11(9)13-7-12-10;1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-2-5-9-6-4-8-7(9)3-1;1-2-4-7-6(3-1)8-5-9-7;2*1-2-5-6(7-3-1)9-4-8-5;2*1-4-5(8-2-6-1)9-3-7-4;1-2-7-5-4(6-1)8-3-9-5;1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-4-2-6-3-5-1;3*1-2-5-3-4-1/h1-8H;2*1-7H,(H,12,13);1-8H;1-6H;1-5H,(H,8,9);2*1-4H,(H,7,8,9);3*1-3H,(H,6,7,8,9);1-5H;2*1-4H;1-3H;1-3H,(H,4,5);2*1-3H
• InChIKey: GWEAWVFIFIKHIO-UHFFFAOYSA-N
• XLogP: 20.36
• TPSA: 572.14 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 35
• Rotatable Bonds: 1
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2050.31
LogP ≤ 5	20.36
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazole;bis(3H-benzo[e]benzimidazole);imidazo[1,2-a]pyridine;1H-imidazo[4,5-b]pyrazine;bis(1H-imidazo[4,5-b]pyridine);1H-imidazole;1,3-oxazole;1,10-phenanthroline;bis(7H-purine);pyrazine;pyridine;2-pyridin-2-ylpyridine;pyrimidine;1,3-thiazole;1,3,5-triazine?

The IUPAC name of 1H-benzimidazole;bis(3H-benzo[e]benzimidazole);imidazo[1,2-a]pyridine;1H-imidazo[4,5-b]pyrazine;bis(1H-imidazo[4,5-b]pyridine);1H-imidazole;1,3-oxazole;1,10-phenanthroline;bis(7H-purine);pyrazine;pyridine;2-pyridin-2-ylpyridine;pyrimidine;1,3-thiazole;1,3,5-triazine (CID 158384185) is 1H-benzimidazole;bis(3H-benzo[e]benzimidazole);imidazo[1,2-a]pyridine;1H-imidazo[4,5-b]pyrazine;bis(1H-imidazo[4,5-b]pyridine);1H-imidazole;1,3-oxazole;1,10-phenanthroline;bis(7H-purine);pyrazine;pyridine;2-pyridin-2-ylpyridine;pyrimidine;1,3-thiazole;1,3,5-triazine.

What is the SMILES notation for 1H-benzimidazole;bis(3H-benzo[e]benzimidazole);imidazo[1,2-a]pyridine;1H-imidazo[4,5-b]pyrazine;bis(1H-imidazo[4,5-b]pyridine);1H-imidazole;1,3-oxazole;1,10-phenanthroline;bis(7H-purine);pyrazine;pyridine;2-pyridin-2-ylpyridine;pyrimidine;1,3-thiazole;1,3,5-triazine?

The canonical SMILES for 1H-benzimidazole;bis(3H-benzo[e]benzimidazole);imidazo[1,2-a]pyridine;1H-imidazo[4,5-b]pyrazine;bis(1H-imidazo[4,5-b]pyridine);1H-imidazole;1,3-oxazole;1,10-phenanthroline;bis(7H-purine);pyrazine;pyridine;2-pyridin-2-ylpyridine;pyrimidine;1,3-thiazole;1,3,5-triazine is c1c[nH]cn1.c1ccc(-c2ccccn2)nc1.c1ccc2[nH]cnc2c1.c1ccc2c(c1)ccc1[nH]cnc12.c1ccc2c(c1)ccc1[nH]cnc12.c1ccn2ccnc2c1.c1ccncc1.c1cnc2[nH]cnc2n1.c1cnc2c(c1)ccc1cccnc12.c1cnc2nc[nH]c2c1.c1cnc2nc[nH]c2c1.c1cnccn1.c1cncnc1.c1cocn1.c1cscn1.c1ncc2[nH]cnc2n1.c1ncc2[nH]cnc2n1.c1ncncn1.

What is the InChIKey of 1H-benzimidazole;bis(3H-benzo[e]benzimidazole);imidazo[1,2-a]pyridine;1H-imidazo[4,5-b]pyrazine;bis(1H-imidazo[4,5-b]pyridine);1H-imidazole;1,3-oxazole;1,10-phenanthroline;bis(7H-purine);pyrazine;pyridine;2-pyridin-2-ylpyridine;pyrimidine;1,3-thiazole;1,3,5-triazine?

The InChIKey is GWEAWVFIFIKHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2.2C11H8N2.C10H8N2.2C7H6N2.2C6H5N3.3C5H4N4.C5H5N.2C4H4N2.C3H3N3.C3H4N2.C3H3NO.C3H3NS/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*1-2-4-9-8(3-1)5-6-10-11(9)13-7-12-10;1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-2-5-9-6-4-8-7(9)3-1;1-2-4-7-6(3-1)8-5-9-7;2*1-2-5-6(7-3-1)9-4-8-5;2*1-4-5(8-2-6-1)9-3-7-4;1-2-7-5-4(6-1)8-3-9-5;1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-4-2-6-3-5-1;3*1-2-5-3-4-1/h1-8H;2*1-7H,(H,12,13);1-8H;1-6H;1-5H,(H,8,9);2*1-4H,(H,7,8,9);3*1-3H,(H,6,7,8,9);1-5H;2*1-4H;1-3H;1-3H,(H,4,5);2*1-3H.

What are the key properties of 1H-benzimidazole;bis(3H-benzo[e]benzimidazole);imidazo[1,2-a]pyridine;1H-imidazo[4,5-b]pyrazine;bis(1H-imidazo[4,5-b]pyridine);1H-imidazole;1,3-oxazole;1,10-phenanthroline;bis(7H-purine);pyrazine;pyridine;2-pyridin-2-ylpyridine;pyrimidine;1,3-thiazole;1,3,5-triazine?

1H-benzimidazole;bis(3H-benzo[e]benzimidazole);imidazo[1,2-a]pyridine;1H-imidazo[4,5-b]pyrazine;bis(1H-imidazo[4,5-b]pyridine);1H-imidazole;1,3-oxazole;1,10-phenanthroline;bis(7H-purine);pyrazine;pyridine;2-pyridin-2-ylpyridine;pyrimidine;1,3-thiazole;1,3,5-triazine has a molecular weight of 2050.31 g/mol, XLogP of 20.36, 1 rotatable bonds, 9 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 1H-benzimidazole;bis(3H-benzo[e]benzimidazole);imidazo[1,2-a]pyridine;1H-imidazo[4,5-b]pyrazine;bis(1H-imidazo[4,5-b]pyridine);1H-imidazole;1,3-oxazole;1,10-phenanthroline;bis(7H-purine);pyrazine;pyridine;2-pyridin-2-ylpyridine;pyrimidine;1,3-thiazole;1,3,5-triazine is sourced from PubChem (CID 158384185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).