1H-benzimidazole;1-benzofuran;2-benzofuran;1,3-benzothiazole;1-benzothiophene;2-benzothiophene;1,2,4-benzotriazine;2H-benzotriazole;1,3-benzoxazole;furan;1H-imidazole;1H-indazole;1H-indole;1H-isoindole;isoquinoline;1,2-oxazole;1,3-oxazole;phthalazine;pteridine;7H-purine;pyran-2-one;pyran-4-one;pyrazine;1H-pyrazole;pyridine;pyrido[2,3-d]pyrimidine;pyrido[3,2-d]pyrimidine;pyrimidine;1H-pyrrole;pyrylium;quinazoline;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thiophene;1,3,5-triazine

C217H182N53O11S6+ — CID 157240491

About 1H-benzimidazole;1-benzofuran;2-benzofuran;1,3-benzothiazole;1-benzothiophene;2-benzothiophene;1,2,4-benzotriazine;2H-benzotriazole;1,3-benzoxazole;furan;1H-imidazole;1H-indazole;1H-indole;1H-isoindole;isoquinoline;1,2-oxazole;1,3-oxazole;phthalazine;pteridine;7H-purine;pyran-2-one;pyran-4-one;pyrazine;1H-pyrazole;pyridine;pyrido[2,3-d]pyrimidine;pyrido[3,2-d]pyrimidine;pyrimidine;1H-pyrrole;pyrylium;quinazoline;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thiophene;1,3,5-triazine

1H-benzimidazole;1-benzofuran;2-benzofuran;1,3-benzothiazole;1-benzothiophene;2-benzothiophene;1,2,4-benzotriazine;2H-benzotriazole;1,3-benzoxazole;furan;1H-imidazole;1H-indazole;1H-indole;1H-isoindole;isoquinoline;1,2-oxazole;1,3-oxazole;phthalazine;pteridine;7H-purine;pyran-2-one;pyran-4-one;pyrazine;1H-pyrazole;pyridine;pyrido[2,3-d]pyrimidine;pyrido[3,2-d]pyrimidine;pyrimidine;1H-pyrrole;pyrylium;quinazoline;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thiophene;1,3,5-triazine (PubChem CID 157240491) has the molecular formula C217H182N53O11S6+ and a molecular weight of 3900.60 g/mol. Its IUPAC name is 1H-benzimidazole;1-benzofuran;2-benzofuran;1,3-benzothiazole;1-benzothiophene;2-benzothiophene;1,2,4-benzotriazine;2H-benzotriazole;1,3-benzoxazole;furan;1H-imidazole;1H-indazole;1H-indole;1H-isoindole;isoquinoline;1,2-oxazole;1,3-oxazole;phthalazine;pteridine;7H-purine;pyran-2-one;pyran-4-one;pyrazine;1H-pyrazole;pyridine;pyrido[2,3-d]pyrimidine;pyrido[3,2-d]pyrimidine;pyrimidine;1H-pyrrole;pyrylium;quinazoline;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thiophene;1,3,5-triazine.

Molecular Properties

• Compound Name: 1H-benzimidazole;1-benzofuran;2-benzofuran;1,3-benzothiazole;1-benzothiophene;2-benzothiophene;1,2,4-benzotriazine;2H-benzotriazole;1,3-benzoxazole;furan;1H-imidazole;1H-indazole;1H-indole;1H-isoindole;isoquinoline;1,2-oxazole;1,3-oxazole;phthalazine;pteridine;7H-purine;pyran-2-one;pyran-4-one;pyrazine;1H-pyrazole;pyridine;pyrido[2,3-d]pyrimidine;pyrido[3,2-d]pyrimidine;pyrimidine;1H-pyrrole;pyrylium;quinazoline;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thiophene;1,3,5-triazine
• PubChem CID: 157240491
• Molecular Formula: C217H182N53O11S6+
• Molecular Weight: 3900.60 g/mol
• Exact Mass: 3897.36
• IUPAC Name: 1H-benzimidazole;1-benzofuran;2-benzofuran;1,3-benzothiazole;1-benzothiophene;2-benzothiophene;1,2,4-benzotriazine;2H-benzotriazole;1,3-benzoxazole;furan;1H-imidazole;1H-indazole;1H-indole;1H-isoindole;isoquinoline;1,2-oxazole;1,3-oxazole;phthalazine;pteridine;7H-purine;pyran-2-one;pyran-4-one;pyrazine;1H-pyrazole;pyridine;pyrido[2,3-d]pyrimidine;pyrido[3,2-d]pyrimidine;pyrimidine;1H-pyrrole;pyrylium;quinazoline;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thiophene;1,3,5-triazine
• SMILES: C1=NCc2ccccc21.O=c1cccco1.O=c1ccocc1.c1c[nH]cn1.c1cc[nH]c1.c1cc[o+]cc1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2[nH]ncc2c1.c1ccc2cnccc2c1.c1ccc2cnncc2c1.c1ccc2cocc2c1.c1ccc2cscc2c1.c1ccc2n[nH]nc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2ncncc2c1.c1ccc2nncnc2c1.c1ccc2occc2c1.c1ccc2ocnc2c1.c1ccc2sccc2c1.c1ccc2scnc2c1.c1ccncc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cnc2cncnc2c1.c1cnc2ncncc2c1.c1cnc2ncncc2n1.c1cnccn1.c1cncnc1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1.c1ncc2[nH]cnc2n1.c1ncncn1
• InChI: InChI=1S/2C9H7N.3C8H6N2.2C8H7N.2C8H6O.2C8H6S.3C7H5N3.2C7H6N2.C7H5NO.C7H5NS.C6H4N4.C6H5N3.C5H4N4.C5H5N.2C5H4O2.C5H5O.2C4H4N2.C4H5N.C4H4O.C4H4S.C3H3N3.2C3H4N2.2C3H3NO.2C3H3NS/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-8-6-10-9-5-7(8)3-1;1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;1-2-6-7(9-3-1)4-8-5-10-6;1-2-6-4-8-5-10-7(6)9-3-1;1-2-4-7-6(3-1)8-5-9-10-7;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;2*1-2-4-7-6(3-1)8-5-9-7;1-2-9-6-5(8-1)3-7-4-10-6;1-2-4-6-5(3-1)7-9-8-6;1-4-5(8-2-6-1)9-3-7-4;1-2-4-6-5-3-1;6-5-1-3-7-4-2-5;6-5-3-1-2-4-7-5;1-2-4-6-5-3-1;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;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/h2*1-7H;3*1-6H;1-5H,6H2;1-6,9H;4*1-6H;3*1-5H;2*1-5H,(H,8,9);2*1-5H;1-4H;1-4H,(H,7,8,9);1-3H,(H,6,7,8,9);1-5H;2*1-4H;1-5H;2*1-4H;1-5H;2*1-4H;1-3H;2*1-3H,(H,4,5);4*1-3H/q;;;;;;;;;;;;;;;;;;;;;;;;+1
• InChIKey: AVDQAROUFIZGOZ-UHFFFAOYSA-N
• XLogP: 49.11
• TPSA: 856.40 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 61
• Heavy Atoms: 287
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3900.60
LogP ≤ 5	49.11
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	61

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazole;1-benzofuran;2-benzofuran;1,3-benzothiazole;1-benzothiophene;2-benzothiophene;1,2,4-benzotriazine;2H-benzotriazole;1,3-benzoxazole;furan;1H-imidazole;1H-indazole;1H-indole;1H-isoindole;isoquinoline;1,2-oxazole;1,3-oxazole;phthalazine;pteridine;7H-purine;pyran-2-one;pyran-4-one;pyrazine;1H-pyrazole;pyridine;pyrido[2,3-d]pyrimidine;pyrido[3,2-d]pyrimidine;pyrimidine;1H-pyrrole;pyrylium;quinazoline;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thiophene;1,3,5-triazine?

The IUPAC name of 1H-benzimidazole;1-benzofuran;2-benzofuran;1,3-benzothiazole;1-benzothiophene;2-benzothiophene;1,2,4-benzotriazine;2H-benzotriazole;1,3-benzoxazole;furan;1H-imidazole;1H-indazole;1H-indole;1H-isoindole;isoquinoline;1,2-oxazole;1,3-oxazole;phthalazine;pteridine;7H-purine;pyran-2-one;pyran-4-one;pyrazine;1H-pyrazole;pyridine;pyrido[2,3-d]pyrimidine;pyrido[3,2-d]pyrimidine;pyrimidine;1H-pyrrole;pyrylium;quinazoline;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thiophene;1,3,5-triazine (CID 157240491) is 1H-benzimidazole;1-benzofuran;2-benzofuran;1,3-benzothiazole;1-benzothiophene;2-benzothiophene;1,2,4-benzotriazine;2H-benzotriazole;1,3-benzoxazole;furan;1H-imidazole;1H-indazole;1H-indole;1H-isoindole;isoquinoline;1,2-oxazole;1,3-oxazole;phthalazine;pteridine;7H-purine;pyran-2-one;pyran-4-one;pyrazine;1H-pyrazole;pyridine;pyrido[2,3-d]pyrimidine;pyrido[3,2-d]pyrimidine;pyrimidine;1H-pyrrole;pyrylium;quinazoline;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thiophene;1,3,5-triazine.

What is the SMILES notation for 1H-benzimidazole;1-benzofuran;2-benzofuran;1,3-benzothiazole;1-benzothiophene;2-benzothiophene;1,2,4-benzotriazine;2H-benzotriazole;1,3-benzoxazole;furan;1H-imidazole;1H-indazole;1H-indole;1H-isoindole;isoquinoline;1,2-oxazole;1,3-oxazole;phthalazine;pteridine;7H-purine;pyran-2-one;pyran-4-one;pyrazine;1H-pyrazole;pyridine;pyrido[2,3-d]pyrimidine;pyrido[3,2-d]pyrimidine;pyrimidine;1H-pyrrole;pyrylium;quinazoline;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thiophene;1,3,5-triazine?

The canonical SMILES for 1H-benzimidazole;1-benzofuran;2-benzofuran;1,3-benzothiazole;1-benzothiophene;2-benzothiophene;1,2,4-benzotriazine;2H-benzotriazole;1,3-benzoxazole;furan;1H-imidazole;1H-indazole;1H-indole;1H-isoindole;isoquinoline;1,2-oxazole;1,3-oxazole;phthalazine;pteridine;7H-purine;pyran-2-one;pyran-4-one;pyrazine;1H-pyrazole;pyridine;pyrido[2,3-d]pyrimidine;pyrido[3,2-d]pyrimidine;pyrimidine;1H-pyrrole;pyrylium;quinazoline;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thiophene;1,3,5-triazine is C1=NCc2ccccc21.O=c1cccco1.O=c1ccocc1.c1c[nH]cn1.c1cc[nH]c1.c1cc[o+]cc1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2[nH]ncc2c1.c1ccc2cnccc2c1.c1ccc2cnncc2c1.c1ccc2cocc2c1.c1ccc2cscc2c1.c1ccc2n[nH]nc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2ncncc2c1.c1ccc2nncnc2c1.c1ccc2occc2c1.c1ccc2ocnc2c1.c1ccc2sccc2c1.c1ccc2scnc2c1.c1ccncc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cnc2cncnc2c1.c1cnc2ncncc2c1.c1cnc2ncncc2n1.c1cnccn1.c1cncnc1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1.c1ncc2[nH]cnc2n1.c1ncncn1.

What is the InChIKey of 1H-benzimidazole;1-benzofuran;2-benzofuran;1,3-benzothiazole;1-benzothiophene;2-benzothiophene;1,2,4-benzotriazine;2H-benzotriazole;1,3-benzoxazole;furan;1H-imidazole;1H-indazole;1H-indole;1H-isoindole;isoquinoline;1,2-oxazole;1,3-oxazole;phthalazine;pteridine;7H-purine;pyran-2-one;pyran-4-one;pyrazine;1H-pyrazole;pyridine;pyrido[2,3-d]pyrimidine;pyrido[3,2-d]pyrimidine;pyrimidine;1H-pyrrole;pyrylium;quinazoline;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thiophene;1,3,5-triazine?

The InChIKey is AVDQAROUFIZGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H7N.3C8H6N2.2C8H7N.2C8H6O.2C8H6S.3C7H5N3.2C7H6N2.C7H5NO.C7H5NS.C6H4N4.C6H5N3.C5H4N4.C5H5N.2C5H4O2.C5H5O.2C4H4N2.C4H5N.C4H4O.C4H4S.C3H3N3.2C3H4N2.2C3H3NO.2C3H3NS/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-8-6-10-9-5-7(8)3-1;1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;1-2-6-7(9-3-1)4-8-5-10-6;1-2-6-4-8-5-10-7(6)9-3-1;1-2-4-7-6(3-1)8-5-9-10-7;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;2*1-2-4-7-6(3-1)8-5-9-7;1-2-9-6-5(8-1)3-7-4-10-6;1-2-4-6-5(3-1)7-9-8-6;1-4-5(8-2-6-1)9-3-7-4;1-2-4-6-5-3-1;6-5-1-3-7-4-2-5;6-5-3-1-2-4-7-5;1-2-4-6-5-3-1;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;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/h2*1-7H;3*1-6H;1-5H,6H2;1-6,9H;4*1-6H;3*1-5H;2*1-5H,(H,8,9);2*1-5H;1-4H;1-4H,(H,7,8,9);1-3H,(H,6,7,8,9);1-5H;2*1-4H;1-5H;2*1-4H;1-5H;2*1-4H;1-3H;2*1-3H,(H,4,5);4*1-3H/q;;;;;;;;;;;;;;;;;;;;;;;;+1;;;;;;;;;;;;.

What are the key properties of 1H-benzimidazole;1-benzofuran;2-benzofuran;1,3-benzothiazole;1-benzothiophene;2-benzothiophene;1,2,4-benzotriazine;2H-benzotriazole;1,3-benzoxazole;furan;1H-imidazole;1H-indazole;1H-indole;1H-isoindole;isoquinoline;1,2-oxazole;1,3-oxazole;phthalazine;pteridine;7H-purine;pyran-2-one;pyran-4-one;pyrazine;1H-pyrazole;pyridine;pyrido[2,3-d]pyrimidine;pyrido[3,2-d]pyrimidine;pyrimidine;1H-pyrrole;pyrylium;quinazoline;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thiophene;1,3,5-triazine?

1H-benzimidazole;1-benzofuran;2-benzofuran;1,3-benzothiazole;1-benzothiophene;2-benzothiophene;1,2,4-benzotriazine;2H-benzotriazole;1,3-benzoxazole;furan;1H-imidazole;1H-indazole;1H-indole;1H-isoindole;isoquinoline;1,2-oxazole;1,3-oxazole;phthalazine;pteridine;7H-purine;pyran-2-one;pyran-4-one;pyrazine;1H-pyrazole;pyridine;pyrido[2,3-d]pyrimidine;pyrido[3,2-d]pyrimidine;pyrimidine;1H-pyrrole;pyrylium;quinazoline;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thiophene;1,3,5-triazine has a molecular weight of 3900.60 g/mol, XLogP of 49.11, 0 rotatable bonds, 8 hydrogen bond donors, and 61 hydrogen bond acceptors.

Where does this data come from?

All data for 1H-benzimidazole;1-benzofuran;2-benzofuran;1,3-benzothiazole;1-benzothiophene;2-benzothiophene;1,2,4-benzotriazine;2H-benzotriazole;1,3-benzoxazole;furan;1H-imidazole;1H-indazole;1H-indole;1H-isoindole;isoquinoline;1,2-oxazole;1,3-oxazole;phthalazine;pteridine;7H-purine;pyran-2-one;pyran-4-one;pyrazine;1H-pyrazole;pyridine;pyrido[2,3-d]pyrimidine;pyrido[3,2-d]pyrimidine;pyrimidine;1H-pyrrole;pyrylium;quinazoline;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thiophene;1,3,5-triazine is sourced from PubChem (CID 157240491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).