1H-benzimidazole;1,3-benzodioxole;1,3-benzothiazole;1-benzothiophene;2H-benzotriazole;4,9-dihydro-3H-benzo[f][1,2]benzoxathiole;1,3-dihydro-2-benzofuran;2,3-dihydro-1H-isoindole;1,2-dihydroquinoline;furan;1H-imidazole;morpholine;oxolane;10H-phenoxazine;piperazine;bis(piperidine);1H-pyrazole;pyridine;pyrimidine;quinoline;1,3,4-thiadiazole;1,3-thiazole;thiolane;thiomorpholine;thiophene;1H-1,2,4-triazole

C156H188N30O9S8 — CID 158480756

About 1H-benzimidazole;1,3-benzodioxole;1,3-benzothiazole;1-benzothiophene;2H-benzotriazole;4,9-dihydro-3H-benzo[f][1,2]benzoxathiole;1,3-dihydro-2-benzofuran;2,3-dihydro-1H-isoindole;1,2-dihydroquinoline;furan;1H-imidazole;morpholine;oxolane;10H-phenoxazine;piperazine;bis(piperidine);1H-pyrazole;pyridine;pyrimidine;quinoline;1,3,4-thiadiazole;1,3-thiazole;thiolane;thiomorpholine;thiophene;1H-1,2,4-triazole

1H-benzimidazole;1,3-benzodioxole;1,3-benzothiazole;1-benzothiophene;2H-benzotriazole;4,9-dihydro-3H-benzo[f][1,2]benzoxathiole;1,3-dihydro-2-benzofuran;2,3-dihydro-1H-isoindole;1,2-dihydroquinoline;furan;1H-imidazole;morpholine;oxolane;10H-phenoxazine;piperazine;bis(piperidine);1H-pyrazole;pyridine;pyrimidine;quinoline;1,3,4-thiadiazole;1,3-thiazole;thiolane;thiomorpholine;thiophene;1H-1,2,4-triazole (PubChem CID 158480756) has the molecular formula C156H188N30O9S8 and a molecular weight of 2883.96 g/mol. Its IUPAC name is 1H-benzimidazole;1,3-benzodioxole;1,3-benzothiazole;1-benzothiophene;2H-benzotriazole;4,9-dihydro-3H-benzo[f][1,2]benzoxathiole;1,3-dihydro-2-benzofuran;2,3-dihydro-1H-isoindole;1,2-dihydroquinoline;furan;1H-imidazole;morpholine;oxolane;10H-phenoxazine;piperazine;bis(piperidine);1H-pyrazole;pyridine;pyrimidine;quinoline;1,3,4-thiadiazole;1,3-thiazole;thiolane;thiomorpholine;thiophene;1H-1,2,4-triazole.

Molecular Properties

• Compound Name: 1H-benzimidazole;1,3-benzodioxole;1,3-benzothiazole;1-benzothiophene;2H-benzotriazole;4,9-dihydro-3H-benzo[f][1,2]benzoxathiole;1,3-dihydro-2-benzofuran;2,3-dihydro-1H-isoindole;1,2-dihydroquinoline;furan;1H-imidazole;morpholine;oxolane;10H-phenoxazine;piperazine;bis(piperidine);1H-pyrazole;pyridine;pyrimidine;quinoline;1,3,4-thiadiazole;1,3-thiazole;thiolane;thiomorpholine;thiophene;1H-1,2,4-triazole
• PubChem CID: 158480756
• Molecular Formula: C156H188N30O9S8
• Molecular Weight: 2883.96 g/mol
• Exact Mass: 2881.29
• IUPAC Name: 1H-benzimidazole;1,3-benzodioxole;1,3-benzothiazole;1-benzothiophene;2H-benzotriazole;4,9-dihydro-3H-benzo[f][1,2]benzoxathiole;1,3-dihydro-2-benzofuran;2,3-dihydro-1H-isoindole;1,2-dihydroquinoline;furan;1H-imidazole;morpholine;oxolane;10H-phenoxazine;piperazine;bis(piperidine);1H-pyrazole;pyridine;pyrimidine;quinoline;1,3,4-thiadiazole;1,3-thiazole;thiolane;thiomorpholine;thiophene;1H-1,2,4-triazole
• SMILES: C1=Cc2ccccc2NC1.C1CCNCC1.C1CCNCC1.C1CCOC1.C1CCSC1.C1CNCCN1.C1COCCN1.C1COCCN1.C1CSCCN1.c1c[nH]cn1.c1ccc2[nH]cnc2c1.c1ccc2c(c1)CC1=C(C2)OSC1.c1ccc2c(c1)CNC2.c1ccc2c(c1)COC2.c1ccc2c(c1)Nc1ccccc1O2.c1ccc2c(c1)OCO2.c1ccc2n[nH]nc2c1.c1ccc2ncccc2c1.c1ccc2sccc2c1.c1ccc2scnc2c1.c1ccncc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cncnc1.c1cscn1.c1nc[nH]n1.c1nncs1
• InChI: InChI=1S/C12H9NO.C11H10OS.C9H9N.C9H7N.C8H9N.C8H8O.C8H6S.C7H6N2.C7H5NS.C7H6O2.C6H5N3.2C5H11N.C5H5N.C4H10N2.C4H4N2.2C4H9NO.C4H9NS.C4H8O.C4H4O.C4H8S.C4H4S.2C3H4N2.C3H3NS.C2H3N3.C2H2N2S/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11;1-2-4-9-6-11-10(7-13-12-11)5-8(9)3-1;2*1-2-6-9-8(4-1)5-3-7-10-9;2*1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;3*1-2-4-7-6(3-1)8-5-9-7;1-2-4-6-5(3-1)7-9-8-6;3*1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;3*1-3-6-4-2-5-1;4*1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-3-2-5-4-1;1-3-4-2-5-1/h1-8,13H;1-4H,5-7H2;1-6,10H,7H2;1-7H;1-4,9H,5-6H2;1-4H,5-6H2;1-6H;1-5H,(H,8,9);1-5H;1-4H,5H2;1-4H,(H,7,8,9);2*6H,1-5H2;1-5H;5-6H,1-4H2;1-4H;3*5H,1-4H2;1-4H2;1-4H;1-4H2;1-4H;2*1-3H,(H,4,5);1-3H;1-2H,(H,3,4,5);1-2H
• InChIKey: HHMLKDZUQUDRFM-UHFFFAOYSA-N
• XLogP: 32.19
• TPSA: 479.58 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 42
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2883.96
LogP ≤ 5	32.19
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazole;1,3-benzodioxole;1,3-benzothiazole;1-benzothiophene;2H-benzotriazole;4,9-dihydro-3H-benzo[f][1,2]benzoxathiole;1,3-dihydro-2-benzofuran;2,3-dihydro-1H-isoindole;1,2-dihydroquinoline;furan;1H-imidazole;morpholine;oxolane;10H-phenoxazine;piperazine;bis(piperidine);1H-pyrazole;pyridine;pyrimidine;quinoline;1,3,4-thiadiazole;1,3-thiazole;thiolane;thiomorpholine;thiophene;1H-1,2,4-triazole?

The IUPAC name of 1H-benzimidazole;1,3-benzodioxole;1,3-benzothiazole;1-benzothiophene;2H-benzotriazole;4,9-dihydro-3H-benzo[f][1,2]benzoxathiole;1,3-dihydro-2-benzofuran;2,3-dihydro-1H-isoindole;1,2-dihydroquinoline;furan;1H-imidazole;morpholine;oxolane;10H-phenoxazine;piperazine;bis(piperidine);1H-pyrazole;pyridine;pyrimidine;quinoline;1,3,4-thiadiazole;1,3-thiazole;thiolane;thiomorpholine;thiophene;1H-1,2,4-triazole (CID 158480756) is 1H-benzimidazole;1,3-benzodioxole;1,3-benzothiazole;1-benzothiophene;2H-benzotriazole;4,9-dihydro-3H-benzo[f][1,2]benzoxathiole;1,3-dihydro-2-benzofuran;2,3-dihydro-1H-isoindole;1,2-dihydroquinoline;furan;1H-imidazole;morpholine;oxolane;10H-phenoxazine;piperazine;bis(piperidine);1H-pyrazole;pyridine;pyrimidine;quinoline;1,3,4-thiadiazole;1,3-thiazole;thiolane;thiomorpholine;thiophene;1H-1,2,4-triazole.

What is the SMILES notation for 1H-benzimidazole;1,3-benzodioxole;1,3-benzothiazole;1-benzothiophene;2H-benzotriazole;4,9-dihydro-3H-benzo[f][1,2]benzoxathiole;1,3-dihydro-2-benzofuran;2,3-dihydro-1H-isoindole;1,2-dihydroquinoline;furan;1H-imidazole;morpholine;oxolane;10H-phenoxazine;piperazine;bis(piperidine);1H-pyrazole;pyridine;pyrimidine;quinoline;1,3,4-thiadiazole;1,3-thiazole;thiolane;thiomorpholine;thiophene;1H-1,2,4-triazole?

The canonical SMILES for 1H-benzimidazole;1,3-benzodioxole;1,3-benzothiazole;1-benzothiophene;2H-benzotriazole;4,9-dihydro-3H-benzo[f][1,2]benzoxathiole;1,3-dihydro-2-benzofuran;2,3-dihydro-1H-isoindole;1,2-dihydroquinoline;furan;1H-imidazole;morpholine;oxolane;10H-phenoxazine;piperazine;bis(piperidine);1H-pyrazole;pyridine;pyrimidine;quinoline;1,3,4-thiadiazole;1,3-thiazole;thiolane;thiomorpholine;thiophene;1H-1,2,4-triazole is C1=Cc2ccccc2NC1.C1CCNCC1.C1CCNCC1.C1CCOC1.C1CCSC1.C1CNCCN1.C1COCCN1.C1COCCN1.C1CSCCN1.c1c[nH]cn1.c1ccc2[nH]cnc2c1.c1ccc2c(c1)CC1=C(C2)OSC1.c1ccc2c(c1)CNC2.c1ccc2c(c1)COC2.c1ccc2c(c1)Nc1ccccc1O2.c1ccc2c(c1)OCO2.c1ccc2n[nH]nc2c1.c1ccc2ncccc2c1.c1ccc2sccc2c1.c1ccc2scnc2c1.c1ccncc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cncnc1.c1cscn1.c1nc[nH]n1.c1nncs1.

What is the InChIKey of 1H-benzimidazole;1,3-benzodioxole;1,3-benzothiazole;1-benzothiophene;2H-benzotriazole;4,9-dihydro-3H-benzo[f][1,2]benzoxathiole;1,3-dihydro-2-benzofuran;2,3-dihydro-1H-isoindole;1,2-dihydroquinoline;furan;1H-imidazole;morpholine;oxolane;10H-phenoxazine;piperazine;bis(piperidine);1H-pyrazole;pyridine;pyrimidine;quinoline;1,3,4-thiadiazole;1,3-thiazole;thiolane;thiomorpholine;thiophene;1H-1,2,4-triazole?

The InChIKey is HHMLKDZUQUDRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO.C11H10OS.C9H9N.C9H7N.C8H9N.C8H8O.C8H6S.C7H6N2.C7H5NS.C7H6O2.C6H5N3.2C5H11N.C5H5N.C4H10N2.C4H4N2.2C4H9NO.C4H9NS.C4H8O.C4H4O.C4H8S.C4H4S.2C3H4N2.C3H3NS.C2H3N3.C2H2N2S/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11;1-2-4-9-6-11-10(7-13-12-11)5-8(9)3-1;2*1-2-6-9-8(4-1)5-3-7-10-9;2*1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;3*1-2-4-7-6(3-1)8-5-9-7;1-2-4-6-5(3-1)7-9-8-6;3*1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;3*1-3-6-4-2-5-1;4*1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-3-2-5-4-1;1-3-4-2-5-1/h1-8,13H;1-4H,5-7H2;1-6,10H,7H2;1-7H;1-4,9H,5-6H2;1-4H,5-6H2;1-6H;1-5H,(H,8,9);1-5H;1-4H,5H2;1-4H,(H,7,8,9);2*6H,1-5H2;1-5H;5-6H,1-4H2;1-4H;3*5H,1-4H2;1-4H2;1-4H;1-4H2;1-4H;2*1-3H,(H,4,5);1-3H;1-2H,(H,3,4,5);1-2H.

What are the key properties of 1H-benzimidazole;1,3-benzodioxole;1,3-benzothiazole;1-benzothiophene;2H-benzotriazole;4,9-dihydro-3H-benzo[f][1,2]benzoxathiole;1,3-dihydro-2-benzofuran;2,3-dihydro-1H-isoindole;1,2-dihydroquinoline;furan;1H-imidazole;morpholine;oxolane;10H-phenoxazine;piperazine;bis(piperidine);1H-pyrazole;pyridine;pyrimidine;quinoline;1,3,4-thiadiazole;1,3-thiazole;thiolane;thiomorpholine;thiophene;1H-1,2,4-triazole?

1H-benzimidazole;1,3-benzodioxole;1,3-benzothiazole;1-benzothiophene;2H-benzotriazole;4,9-dihydro-3H-benzo[f][1,2]benzoxathiole;1,3-dihydro-2-benzofuran;2,3-dihydro-1H-isoindole;1,2-dihydroquinoline;furan;1H-imidazole;morpholine;oxolane;10H-phenoxazine;piperazine;bis(piperidine);1H-pyrazole;pyridine;pyrimidine;quinoline;1,3,4-thiadiazole;1,3-thiazole;thiolane;thiomorpholine;thiophene;1H-1,2,4-triazole has a molecular weight of 2883.96 g/mol, XLogP of 32.19, 0 rotatable bonds, 15 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 1H-benzimidazole;1,3-benzodioxole;1,3-benzothiazole;1-benzothiophene;2H-benzotriazole;4,9-dihydro-3H-benzo[f][1,2]benzoxathiole;1,3-dihydro-2-benzofuran;2,3-dihydro-1H-isoindole;1,2-dihydroquinoline;furan;1H-imidazole;morpholine;oxolane;10H-phenoxazine;piperazine;bis(piperidine);1H-pyrazole;pyridine;pyrimidine;quinoline;1,3,4-thiadiazole;1,3-thiazole;thiolane;thiomorpholine;thiophene;1H-1,2,4-triazole is sourced from PubChem (CID 158480756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).