1H-benzimidazole;2,3-dihydro-1H-imidazole;2,3-dihydro-1,3-oxazole;2,3-dihydro-1,3-thiazole;bis(2,3-dihydro-1H-1,2,4-triazole);imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;pyrazolo[1,5-a]pyridine;1,2-thiazole;1,3-thiazole;bis(1H-1,2,4-triazole);bis(2H-triazole)

C67H82N38O3S3 — CID 158043644

About 1H-benzimidazole;2,3-dihydro-1H-imidazole;2,3-dihydro-1,3-oxazole;2,3-dihydro-1,3-thiazole;bis(2,3-dihydro-1H-1,2,4-triazole);imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;pyrazolo[1,5-a]pyridine;1,2-thiazole;1,3-thiazole;bis(1H-1,2,4-triazole);bis(2H-triazole)

1H-benzimidazole;2,3-dihydro-1H-imidazole;2,3-dihydro-1,3-oxazole;2,3-dihydro-1,3-thiazole;bis(2,3-dihydro-1H-1,2,4-triazole);imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;pyrazolo[1,5-a]pyridine;1,2-thiazole;1,3-thiazole;bis(1H-1,2,4-triazole);bis(2H-triazole) (PubChem CID 158043644) has the molecular formula C67H82N38O3S3 and a molecular weight of 1563.86 g/mol. Its IUPAC name is 1H-benzimidazole;2,3-dihydro-1H-imidazole;2,3-dihydro-1,3-oxazole;2,3-dihydro-1,3-thiazole;bis(2,3-dihydro-1H-1,2,4-triazole);imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;pyrazolo[1,5-a]pyridine;1,2-thiazole;1,3-thiazole;bis(1H-1,2,4-triazole);bis(2H-triazole).

Molecular Properties

• Compound Name: 1H-benzimidazole;2,3-dihydro-1H-imidazole;2,3-dihydro-1,3-oxazole;2,3-dihydro-1,3-thiazole;bis(2,3-dihydro-1H-1,2,4-triazole);imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;pyrazolo[1,5-a]pyridine;1,2-thiazole;1,3-thiazole;bis(1H-1,2,4-triazole);bis(2H-triazole)
• PubChem CID: 158043644
• Molecular Formula: C67H82N38O3S3
• Molecular Weight: 1563.86 g/mol
• Exact Mass: 1562.66
• IUPAC Name: 1H-benzimidazole;2,3-dihydro-1H-imidazole;2,3-dihydro-1,3-oxazole;2,3-dihydro-1,3-thiazole;bis(2,3-dihydro-1H-1,2,4-triazole);imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;pyrazolo[1,5-a]pyridine;1,2-thiazole;1,3-thiazole;bis(1H-1,2,4-triazole);bis(2H-triazole)
• SMILES: C1=CNCN1.C1=COCN1.C1=CSCN1.C1=NCNN1.C1=NCNN1.c1c[nH]cn1.c1ccc2[nH]cnc2c1.c1ccn2ccnc2c1.c1ccn2cncc2c1.c1ccn2nccc2c1.c1cn[nH]c1.c1cn[nH]n1.c1cn[nH]n1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1.c1nc[nH]n1.c1nc[nH]n1
• InChI: InChI=1S/4C7H6N2.C3H6N2.2C3H4N2.C3H5NO.2C3H3NO.C3H5NS.2C3H3NS.2C2H5N3.4C2H3N3/c1-2-6-9-7(3-1)4-5-8-9;1-2-5-9-6-4-8-7(9)3-1;1-2-4-9-6-8-5-7(9)3-1;1-2-4-7-6(3-1)8-5-9-7;2*1-2-5-3-4-1;1-2-4-5-3-1;2*1-2-5-3-4-1;1-2-4-5-3-1;2*1-2-5-3-4-1;1-2-4-5-3-1;4*1-3-2-5-4-1;2*1-2-4-5-3-1/h3*1-6H;1-5H,(H,8,9);1-2,4-5H,3H2;2*1-3H,(H,4,5);1-2,4H,3H2;2*1-3H;1-2,4H,3H2;2*1-3H;2*1,5H,2H2,(H,3,4);4*1-2H,(H,3,4,5)
• InChIKey: GVQQEVIBBGQLOX-UHFFFAOYSA-N
• XLogP: 7.79
• TPSA: 512.25 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 37
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1563.86
LogP ≤ 5	7.79
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazole;2,3-dihydro-1H-imidazole;2,3-dihydro-1,3-oxazole;2,3-dihydro-1,3-thiazole;bis(2,3-dihydro-1H-1,2,4-triazole);imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;pyrazolo[1,5-a]pyridine;1,2-thiazole;1,3-thiazole;bis(1H-1,2,4-triazole);bis(2H-triazole)?

The IUPAC name of 1H-benzimidazole;2,3-dihydro-1H-imidazole;2,3-dihydro-1,3-oxazole;2,3-dihydro-1,3-thiazole;bis(2,3-dihydro-1H-1,2,4-triazole);imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;pyrazolo[1,5-a]pyridine;1,2-thiazole;1,3-thiazole;bis(1H-1,2,4-triazole);bis(2H-triazole) (CID 158043644) is 1H-benzimidazole;2,3-dihydro-1H-imidazole;2,3-dihydro-1,3-oxazole;2,3-dihydro-1,3-thiazole;bis(2,3-dihydro-1H-1,2,4-triazole);imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;pyrazolo[1,5-a]pyridine;1,2-thiazole;1,3-thiazole;bis(1H-1,2,4-triazole);bis(2H-triazole).

What is the SMILES notation for 1H-benzimidazole;2,3-dihydro-1H-imidazole;2,3-dihydro-1,3-oxazole;2,3-dihydro-1,3-thiazole;bis(2,3-dihydro-1H-1,2,4-triazole);imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;pyrazolo[1,5-a]pyridine;1,2-thiazole;1,3-thiazole;bis(1H-1,2,4-triazole);bis(2H-triazole)?

The canonical SMILES for 1H-benzimidazole;2,3-dihydro-1H-imidazole;2,3-dihydro-1,3-oxazole;2,3-dihydro-1,3-thiazole;bis(2,3-dihydro-1H-1,2,4-triazole);imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;pyrazolo[1,5-a]pyridine;1,2-thiazole;1,3-thiazole;bis(1H-1,2,4-triazole);bis(2H-triazole) is C1=CNCN1.C1=COCN1.C1=CSCN1.C1=NCNN1.C1=NCNN1.c1c[nH]cn1.c1ccc2[nH]cnc2c1.c1ccn2ccnc2c1.c1ccn2cncc2c1.c1ccn2nccc2c1.c1cn[nH]c1.c1cn[nH]n1.c1cn[nH]n1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1.c1nc[nH]n1.c1nc[nH]n1.

What is the InChIKey of 1H-benzimidazole;2,3-dihydro-1H-imidazole;2,3-dihydro-1,3-oxazole;2,3-dihydro-1,3-thiazole;bis(2,3-dihydro-1H-1,2,4-triazole);imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;pyrazolo[1,5-a]pyridine;1,2-thiazole;1,3-thiazole;bis(1H-1,2,4-triazole);bis(2H-triazole)?

The InChIKey is GVQQEVIBBGQLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/4C7H6N2.C3H6N2.2C3H4N2.C3H5NO.2C3H3NO.C3H5NS.2C3H3NS.2C2H5N3.4C2H3N3/c1-2-6-9-7(3-1)4-5-8-9;1-2-5-9-6-4-8-7(9)3-1;1-2-4-9-6-8-5-7(9)3-1;1-2-4-7-6(3-1)8-5-9-7;2*1-2-5-3-4-1;1-2-4-5-3-1;2*1-2-5-3-4-1;1-2-4-5-3-1;2*1-2-5-3-4-1;1-2-4-5-3-1;4*1-3-2-5-4-1;2*1-2-4-5-3-1/h3*1-6H;1-5H,(H,8,9);1-2,4-5H,3H2;2*1-3H,(H,4,5);1-2,4H,3H2;2*1-3H;1-2,4H,3H2;2*1-3H;2*1,5H,2H2,(H,3,4);4*1-2H,(H,3,4,5).

What are the key properties of 1H-benzimidazole;2,3-dihydro-1H-imidazole;2,3-dihydro-1,3-oxazole;2,3-dihydro-1,3-thiazole;bis(2,3-dihydro-1H-1,2,4-triazole);imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;pyrazolo[1,5-a]pyridine;1,2-thiazole;1,3-thiazole;bis(1H-1,2,4-triazole);bis(2H-triazole)?

1H-benzimidazole;2,3-dihydro-1H-imidazole;2,3-dihydro-1,3-oxazole;2,3-dihydro-1,3-thiazole;bis(2,3-dihydro-1H-1,2,4-triazole);imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;pyrazolo[1,5-a]pyridine;1,2-thiazole;1,3-thiazole;bis(1H-1,2,4-triazole);bis(2H-triazole) has a molecular weight of 1563.86 g/mol, XLogP of 7.79, 0 rotatable bonds, 15 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 1H-benzimidazole;2,3-dihydro-1H-imidazole;2,3-dihydro-1,3-oxazole;2,3-dihydro-1,3-thiazole;bis(2,3-dihydro-1H-1,2,4-triazole);imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;pyrazolo[1,5-a]pyridine;1,2-thiazole;1,3-thiazole;bis(1H-1,2,4-triazole);bis(2H-triazole) is sourced from PubChem (CID 158043644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).