1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;tris(6H-cyclopenta[d]pyrimidine);furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;1H-indole;tris(2H-indole);indolizine;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrazine;pyrrolo[1,2-a]pyrimidine;pyrrolo[1,2-b]pyridazine;1H-pyrrolo[2,3-b]pyridine;tris(2H-pyrrolo[2,3-b]pyridine);pyrrolo[1,2-c]pyrimidine;thieno[2,3-b]pyridine

C182H151N37O3S3 — CID 158522517

About 1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;tris(6H-cyclopenta[d]pyrimidine);furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;1H-indole;tris(2H-indole);indolizine;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrazine;pyrrolo[1,2-a]pyrimidine;pyrrolo[1,2-b]pyridazine;1H-pyrrolo[2,3-b]pyridine;tris(2H-pyrrolo[2,3-b]pyridine);pyrrolo[1,2-c]pyrimidine;thieno[2,3-b]pyridine

1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;tris(6H-cyclopenta[d]pyrimidine);furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;1H-indole;tris(2H-indole);indolizine;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrazine;pyrrolo[1,2-a]pyrimidine;pyrrolo[1,2-b]pyridazine;1H-pyrrolo[2,3-b]pyridine;tris(2H-pyrrolo[2,3-b]pyridine);pyrrolo[1,2-c]pyrimidine;thieno[2,3-b]pyridine (PubChem CID 158522517) has the molecular formula C182H151N37O3S3 and a molecular weight of 3000.67 g/mol. Its IUPAC name is 1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;tris(6H-cyclopenta[d]pyrimidine);furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;1H-indole;tris(2H-indole);indolizine;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrazine;pyrrolo[1,2-a]pyrimidine;pyrrolo[1,2-b]pyridazine;1H-pyrrolo[2,3-b]pyridine;tris(2H-pyrrolo[2,3-b]pyridine);pyrrolo[1,2-c]pyrimidine;thieno[2,3-b]pyridine.

Molecular Properties

• Compound Name: 1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;tris(6H-cyclopenta[d]pyrimidine);furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;1H-indole;tris(2H-indole);indolizine;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrazine;pyrrolo[1,2-a]pyrimidine;pyrrolo[1,2-b]pyridazine;1H-pyrrolo[2,3-b]pyridine;tris(2H-pyrrolo[2,3-b]pyridine);pyrrolo[1,2-c]pyrimidine;thieno[2,3-b]pyridine
• PubChem CID: 158522517
• Molecular Formula: C182H151N37O3S3
• Molecular Weight: 3000.67 g/mol
• Exact Mass: 2998.20
• IUPAC Name: 1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;tris(6H-cyclopenta[d]pyrimidine);furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;1H-indole;tris(2H-indole);indolizine;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrazine;pyrrolo[1,2-a]pyrimidine;pyrrolo[1,2-b]pyridazine;1H-pyrrolo[2,3-b]pyridine;tris(2H-pyrrolo[2,3-b]pyridine);pyrrolo[1,2-c]pyrimidine;thieno[2,3-b]pyridine
• SMILES: C1=c2ccccc2=NC1.C1=c2ccccc2=NC1.C1=c2ccccc2=NC1.C1=c2cccnc2=NC1.C1=c2cccnc2=NC1.C1=c2cccnc2=NC1.C1=c2cncnc2=CC1.C1=c2cncnc2=CC1.C1=c2cncnc2=CC1.c1cc2ccncn2c1.c1cc2cnccn2c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2occc2c1.c1ccc2ocnc2c1.c1ccc2sccc2c1.c1ccc2scnc2c1.c1ccn2cccc2c1.c1ccn2ccnc2c1.c1ccn2nccc2c1.c1cnc2[nH]ccc2c1.c1cnc2cccn2c1.c1cnc2occc2c1.c1cnc2sccc2c1.c1cnn2cccc2c1
• InChI: InChI=1S/5C8H7N.C8H6O.C8H6S.14C7H6N2.2C7H5NO.2C7H5NS/c1-2-6-9-7-3-5-8(9)4-1;6*1-2-4-8-7(3-1)5-6-9-8;1-3-7-8-4-2-6-9(7)5-1;1-3-7-4-2-6-9(7)8-5-1;1-2-7-3-4-8-6-9(7)5-1;1-2-7-6-8-3-5-9(7)4-1;4*1-2-6-3-5-9-7(6)8-4-1;3*1-2-6-4-8-5-9-7(6)3-1;1-2-6-9-7(3-1)4-5-8-9;1-2-5-9-6-4-8-7(9)3-1;1-2-4-7-6(3-1)8-5-9-7;1-2-6-3-5-9-7(6)8-4-1;1-2-4-7-6(3-1)8-5-9-7;1-2-6-3-5-9-7(6)8-4-1;1-2-4-7-6(3-1)8-5-9-7/h1-7H;3*1-5H,6H2;1-6,9H;6*1-6H;3*1-4H,5H2;1-5H,(H,8,9);3*2-5H,1H2;2*1-6H;1-5H,(H,8,9);4*1-5H
• InChIKey: HMJRYAPBWLSRNX-UHFFFAOYSA-N
• XLogP: 25.93
• TPSA: 462.51 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 40
• Heavy Atoms: 225
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3000.67
LogP ≤ 5	25.93
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;tris(6H-cyclopenta[d]pyrimidine);furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;1H-indole;tris(2H-indole);indolizine;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrazine;pyrrolo[1,2-a]pyrimidine;pyrrolo[1,2-b]pyridazine;1H-pyrrolo[2,3-b]pyridine;tris(2H-pyrrolo[2,3-b]pyridine);pyrrolo[1,2-c]pyrimidine;thieno[2,3-b]pyridine?

The IUPAC name of 1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;tris(6H-cyclopenta[d]pyrimidine);furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;1H-indole;tris(2H-indole);indolizine;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrazine;pyrrolo[1,2-a]pyrimidine;pyrrolo[1,2-b]pyridazine;1H-pyrrolo[2,3-b]pyridine;tris(2H-pyrrolo[2,3-b]pyridine);pyrrolo[1,2-c]pyrimidine;thieno[2,3-b]pyridine (CID 158522517) is 1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;tris(6H-cyclopenta[d]pyrimidine);furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;1H-indole;tris(2H-indole);indolizine;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrazine;pyrrolo[1,2-a]pyrimidine;pyrrolo[1,2-b]pyridazine;1H-pyrrolo[2,3-b]pyridine;tris(2H-pyrrolo[2,3-b]pyridine);pyrrolo[1,2-c]pyrimidine;thieno[2,3-b]pyridine.

What is the SMILES notation for 1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;tris(6H-cyclopenta[d]pyrimidine);furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;1H-indole;tris(2H-indole);indolizine;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrazine;pyrrolo[1,2-a]pyrimidine;pyrrolo[1,2-b]pyridazine;1H-pyrrolo[2,3-b]pyridine;tris(2H-pyrrolo[2,3-b]pyridine);pyrrolo[1,2-c]pyrimidine;thieno[2,3-b]pyridine?

The canonical SMILES for 1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;tris(6H-cyclopenta[d]pyrimidine);furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;1H-indole;tris(2H-indole);indolizine;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrazine;pyrrolo[1,2-a]pyrimidine;pyrrolo[1,2-b]pyridazine;1H-pyrrolo[2,3-b]pyridine;tris(2H-pyrrolo[2,3-b]pyridine);pyrrolo[1,2-c]pyrimidine;thieno[2,3-b]pyridine is C1=c2ccccc2=NC1.C1=c2ccccc2=NC1.C1=c2ccccc2=NC1.C1=c2cccnc2=NC1.C1=c2cccnc2=NC1.C1=c2cccnc2=NC1.C1=c2cncnc2=CC1.C1=c2cncnc2=CC1.C1=c2cncnc2=CC1.c1cc2ccncn2c1.c1cc2cnccn2c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2occc2c1.c1ccc2ocnc2c1.c1ccc2sccc2c1.c1ccc2scnc2c1.c1ccn2cccc2c1.c1ccn2ccnc2c1.c1ccn2nccc2c1.c1cnc2[nH]ccc2c1.c1cnc2cccn2c1.c1cnc2occc2c1.c1cnc2sccc2c1.c1cnn2cccc2c1.

What is the InChIKey of 1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;tris(6H-cyclopenta[d]pyrimidine);furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;1H-indole;tris(2H-indole);indolizine;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrazine;pyrrolo[1,2-a]pyrimidine;pyrrolo[1,2-b]pyridazine;1H-pyrrolo[2,3-b]pyridine;tris(2H-pyrrolo[2,3-b]pyridine);pyrrolo[1,2-c]pyrimidine;thieno[2,3-b]pyridine?

The InChIKey is HMJRYAPBWLSRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/5C8H7N.C8H6O.C8H6S.14C7H6N2.2C7H5NO.2C7H5NS/c1-2-6-9-7-3-5-8(9)4-1;6*1-2-4-8-7(3-1)5-6-9-8;1-3-7-8-4-2-6-9(7)5-1;1-3-7-4-2-6-9(7)8-5-1;1-2-7-3-4-8-6-9(7)5-1;1-2-7-6-8-3-5-9(7)4-1;4*1-2-6-3-5-9-7(6)8-4-1;3*1-2-6-4-8-5-9-7(6)3-1;1-2-6-9-7(3-1)4-5-8-9;1-2-5-9-6-4-8-7(9)3-1;1-2-4-7-6(3-1)8-5-9-7;1-2-6-3-5-9-7(6)8-4-1;1-2-4-7-6(3-1)8-5-9-7;1-2-6-3-5-9-7(6)8-4-1;1-2-4-7-6(3-1)8-5-9-7/h1-7H;3*1-5H,6H2;1-6,9H;6*1-6H;3*1-4H,5H2;1-5H,(H,8,9);3*2-5H,1H2;2*1-6H;1-5H,(H,8,9);4*1-5H.

What are the key properties of 1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;tris(6H-cyclopenta[d]pyrimidine);furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;1H-indole;tris(2H-indole);indolizine;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrazine;pyrrolo[1,2-a]pyrimidine;pyrrolo[1,2-b]pyridazine;1H-pyrrolo[2,3-b]pyridine;tris(2H-pyrrolo[2,3-b]pyridine);pyrrolo[1,2-c]pyrimidine;thieno[2,3-b]pyridine?

1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;tris(6H-cyclopenta[d]pyrimidine);furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;1H-indole;tris(2H-indole);indolizine;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrazine;pyrrolo[1,2-a]pyrimidine;pyrrolo[1,2-b]pyridazine;1H-pyrrolo[2,3-b]pyridine;tris(2H-pyrrolo[2,3-b]pyridine);pyrrolo[1,2-c]pyrimidine;thieno[2,3-b]pyridine has a molecular weight of 3000.67 g/mol, XLogP of 25.93, 0 rotatable bonds, 3 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;tris(6H-cyclopenta[d]pyrimidine);furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;1H-indole;tris(2H-indole);indolizine;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrazine;pyrrolo[1,2-a]pyrimidine;pyrrolo[1,2-b]pyridazine;1H-pyrrolo[2,3-b]pyridine;tris(2H-pyrrolo[2,3-b]pyridine);pyrrolo[1,2-c]pyrimidine;thieno[2,3-b]pyridine is sourced from PubChem (CID 158522517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).