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

C320H269N45O8S7 — CID 159855858

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

1H-benzimidazole;bis(1-benzofuran);1,3-benzothiazole;bis(1-benzothiophene);1,3-benzoxazole;5H-cyclopenta[b]pyridine;tris(6H-cyclopenta[b]pyridine);5H-cyclopenta[c]pyridine;tris(6H-cyclopenta[c]pyridine);bis(furo[2,3-b]pyridine);furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;imidazo[1,2-a]pyridine;tris(2H-indene);bis(1H-indole);tris(2H-indole);indolizine;methane;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrazine;pyrrolo[1,2-a]pyrimidine;pyrrolo[1,2-b]pyridazine;bis(1H-pyrrolo[2,3-b]pyridine);1H-pyrrolo[2,3-c]pyridine;pyrrolo[1,2-c]pyrimidine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine (PubChem CID 159855858) has the molecular formula C320H269N45O8S7 and a molecular weight of 5097.45 g/mol. Its IUPAC name is 1H-benzimidazole;bis(1-benzofuran);1,3-benzothiazole;bis(1-benzothiophene);1,3-benzoxazole;5H-cyclopenta[b]pyridine;tris(6H-cyclopenta[b]pyridine);5H-cyclopenta[c]pyridine;tris(6H-cyclopenta[c]pyridine);bis(furo[2,3-b]pyridine);furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;imidazo[1,2-a]pyridine;tris(2H-indene);bis(1H-indole);tris(2H-indole);indolizine;methane;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrazine;pyrrolo[1,2-a]pyrimidine;pyrrolo[1,2-b]pyridazine;bis(1H-pyrrolo[2,3-b]pyridine);1H-pyrrolo[2,3-c]pyridine;pyrrolo[1,2-c]pyrimidine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine.

Molecular Properties

• Compound Name: 1H-benzimidazole;bis(1-benzofuran);1,3-benzothiazole;bis(1-benzothiophene);1,3-benzoxazole;5H-cyclopenta[b]pyridine;tris(6H-cyclopenta[b]pyridine);5H-cyclopenta[c]pyridine;tris(6H-cyclopenta[c]pyridine);bis(furo[2,3-b]pyridine);furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;imidazo[1,2-a]pyridine;tris(2H-indene);bis(1H-indole);tris(2H-indole);indolizine;methane;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrazine;pyrrolo[1,2-a]pyrimidine;pyrrolo[1,2-b]pyridazine;bis(1H-pyrrolo[2,3-b]pyridine);1H-pyrrolo[2,3-c]pyridine;pyrrolo[1,2-c]pyrimidine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine
• PubChem CID: 159855858
• Molecular Formula: C320H269N45O8S7
• Molecular Weight: 5097.45 g/mol
• Exact Mass: 5093.01
• IUPAC Name: 1H-benzimidazole;bis(1-benzofuran);1,3-benzothiazole;bis(1-benzothiophene);1,3-benzoxazole;5H-cyclopenta[b]pyridine;tris(6H-cyclopenta[b]pyridine);5H-cyclopenta[c]pyridine;tris(6H-cyclopenta[c]pyridine);bis(furo[2,3-b]pyridine);furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;imidazo[1,2-a]pyridine;tris(2H-indene);bis(1H-indole);tris(2H-indole);indolizine;methane;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrazine;pyrrolo[1,2-a]pyrimidine;pyrrolo[1,2-b]pyridazine;bis(1H-pyrrolo[2,3-b]pyridine);1H-pyrrolo[2,3-c]pyridine;pyrrolo[1,2-c]pyrimidine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine
• SMILES: C.C.C1=Cc2cnccc2C1.C1=Cc2ncccc2C1.C1=c2ccccc2=CC1.C1=c2ccccc2=CC1.C1=c2ccccc2=CC1.C1=c2ccccc2=NC1.C1=c2ccccc2=NC1.C1=c2ccccc2=NC1.C1=c2cccnc2=CC1.C1=c2cccnc2=CC1.C1=c2cccnc2=CC1.C1=c2ccncc2=CC1.C1=c2ccncc2=CC1.C1=c2ccncc2=CC1.c1cc2cc[nH]c2cn1.c1cc2ccncn2c1.c1cc2ccoc2cn1.c1cc2ccsc2cn1.c1cc2cnccn2c1.c1cc2occc2cn1.c1cc2sccc2cn1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2occc2c1.c1ccc2occc2c1.c1ccc2ocnc2c1.c1ccc2sccc2c1.c1ccc2sccc2c1.c1ccc2scnc2c1.c1ccn2cccc2c1.c1ccn2ccnc2c1.c1ccn2nccc2c1.c1cnc2[nH]ccc2c1.c1cnc2[nH]ccc2c1.c1cnc2cccn2c1.c1cnc2ccoc2c1.c1cnc2ccsc2c1.c1cnc2occc2c1.c1cnc2occc2c1.c1cnc2sccc2c1.c1cnn2cccc2c1
• InChI: InChI=1S/3C9H8.14C8H7N.2C8H6O.2C8H6S.10C7H6N2.6C7H5NO.5C7H5NS.2CH4/c3*1-2-5-9-7-3-6-8(9)4-1;4*1-3-7-4-2-6-9-8(7)5-1;1-2-6-9-7-3-5-8(9)4-1;4*1-2-7-4-5-9-6-8(7)3-1;9*1-2-4-8-7(3-1)5-6-9-8;1-3-8-5-7-6(1)2-4-9-7;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;2*1-2-6-3-5-9-7(6)8-4-1;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;1-3-8-5-6-2-4-9-7(1)6;1-3-8-5-7-6(1)2-4-9-7;1-2-7-6(8-4-1)3-5-9-7;2*1-2-6-3-5-9-7(6)8-4-1;1-2-4-7-6(3-1)8-5-9-7;1-3-8-5-6-2-4-9-7(1)6;1-3-8-5-7-6(1)2-4-9-7;1-2-7-6(8-4-1)3-5-9-7;1-2-6-3-5-9-7(6)8-4-1;1-2-4-7-6(3-1)8-5-9-7;;/h3*1-2,4-7H,3H2;3*2-6H,1H2;1-2,4-6H,3H2;1-7H;3*2-6H,1H2;1,3-6H,2H2;3*1-5H,6H2;2*1-6,9H;4*1-6H;1-5,9H;4*1-6H;2*1-5H,(H,8,9);2*1-6H;1-5H,(H,8,9);11*1-5H;2*1H4
• InChIKey: NQNDMKURDRIGND-UHFFFAOYSA-N
• XLogP: 60.76
• TPSA: 641.62 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 54
• Heavy Atoms: 380
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	5097.45
LogP ≤ 5	60.76
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	54

Frequently Asked Questions

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

The IUPAC name of 1H-benzimidazole;bis(1-benzofuran);1,3-benzothiazole;bis(1-benzothiophene);1,3-benzoxazole;5H-cyclopenta[b]pyridine;tris(6H-cyclopenta[b]pyridine);5H-cyclopenta[c]pyridine;tris(6H-cyclopenta[c]pyridine);bis(furo[2,3-b]pyridine);furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;imidazo[1,2-a]pyridine;tris(2H-indene);bis(1H-indole);tris(2H-indole);indolizine;methane;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrazine;pyrrolo[1,2-a]pyrimidine;pyrrolo[1,2-b]pyridazine;bis(1H-pyrrolo[2,3-b]pyridine);1H-pyrrolo[2,3-c]pyridine;pyrrolo[1,2-c]pyrimidine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine (CID 159855858) is 1H-benzimidazole;bis(1-benzofuran);1,3-benzothiazole;bis(1-benzothiophene);1,3-benzoxazole;5H-cyclopenta[b]pyridine;tris(6H-cyclopenta[b]pyridine);5H-cyclopenta[c]pyridine;tris(6H-cyclopenta[c]pyridine);bis(furo[2,3-b]pyridine);furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;imidazo[1,2-a]pyridine;tris(2H-indene);bis(1H-indole);tris(2H-indole);indolizine;methane;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrazine;pyrrolo[1,2-a]pyrimidine;pyrrolo[1,2-b]pyridazine;bis(1H-pyrrolo[2,3-b]pyridine);1H-pyrrolo[2,3-c]pyridine;pyrrolo[1,2-c]pyrimidine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine.

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

The canonical SMILES for 1H-benzimidazole;bis(1-benzofuran);1,3-benzothiazole;bis(1-benzothiophene);1,3-benzoxazole;5H-cyclopenta[b]pyridine;tris(6H-cyclopenta[b]pyridine);5H-cyclopenta[c]pyridine;tris(6H-cyclopenta[c]pyridine);bis(furo[2,3-b]pyridine);furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;imidazo[1,2-a]pyridine;tris(2H-indene);bis(1H-indole);tris(2H-indole);indolizine;methane;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrazine;pyrrolo[1,2-a]pyrimidine;pyrrolo[1,2-b]pyridazine;bis(1H-pyrrolo[2,3-b]pyridine);1H-pyrrolo[2,3-c]pyridine;pyrrolo[1,2-c]pyrimidine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine is C.C.C1=Cc2cnccc2C1.C1=Cc2ncccc2C1.C1=c2ccccc2=CC1.C1=c2ccccc2=CC1.C1=c2ccccc2=CC1.C1=c2ccccc2=NC1.C1=c2ccccc2=NC1.C1=c2ccccc2=NC1.C1=c2cccnc2=CC1.C1=c2cccnc2=CC1.C1=c2cccnc2=CC1.C1=c2ccncc2=CC1.C1=c2ccncc2=CC1.C1=c2ccncc2=CC1.c1cc2cc[nH]c2cn1.c1cc2ccncn2c1.c1cc2ccoc2cn1.c1cc2ccsc2cn1.c1cc2cnccn2c1.c1cc2occc2cn1.c1cc2sccc2cn1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2occc2c1.c1ccc2occc2c1.c1ccc2ocnc2c1.c1ccc2sccc2c1.c1ccc2sccc2c1.c1ccc2scnc2c1.c1ccn2cccc2c1.c1ccn2ccnc2c1.c1ccn2nccc2c1.c1cnc2[nH]ccc2c1.c1cnc2[nH]ccc2c1.c1cnc2cccn2c1.c1cnc2ccoc2c1.c1cnc2ccsc2c1.c1cnc2occc2c1.c1cnc2occc2c1.c1cnc2sccc2c1.c1cnn2cccc2c1.

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

The InChIKey is NQNDMKURDRIGND-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H8.14C8H7N.2C8H6O.2C8H6S.10C7H6N2.6C7H5NO.5C7H5NS.2CH4/c3*1-2-5-9-7-3-6-8(9)4-1;4*1-3-7-4-2-6-9-8(7)5-1;1-2-6-9-7-3-5-8(9)4-1;4*1-2-7-4-5-9-6-8(7)3-1;9*1-2-4-8-7(3-1)5-6-9-8;1-3-8-5-7-6(1)2-4-9-7;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;2*1-2-6-3-5-9-7(6)8-4-1;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;1-3-8-5-6-2-4-9-7(1)6;1-3-8-5-7-6(1)2-4-9-7;1-2-7-6(8-4-1)3-5-9-7;2*1-2-6-3-5-9-7(6)8-4-1;1-2-4-7-6(3-1)8-5-9-7;1-3-8-5-6-2-4-9-7(1)6;1-3-8-5-7-6(1)2-4-9-7;1-2-7-6(8-4-1)3-5-9-7;1-2-6-3-5-9-7(6)8-4-1;1-2-4-7-6(3-1)8-5-9-7;;/h3*1-2,4-7H,3H2;3*2-6H,1H2;1-2,4-6H,3H2;1-7H;3*2-6H,1H2;1,3-6H,2H2;3*1-5H,6H2;2*1-6,9H;4*1-6H;1-5,9H;4*1-6H;2*1-5H,(H,8,9);2*1-6H;1-5H,(H,8,9);11*1-5H;2*1H4.

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

1H-benzimidazole;bis(1-benzofuran);1,3-benzothiazole;bis(1-benzothiophene);1,3-benzoxazole;5H-cyclopenta[b]pyridine;tris(6H-cyclopenta[b]pyridine);5H-cyclopenta[c]pyridine;tris(6H-cyclopenta[c]pyridine);bis(furo[2,3-b]pyridine);furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;imidazo[1,2-a]pyridine;tris(2H-indene);bis(1H-indole);tris(2H-indole);indolizine;methane;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrazine;pyrrolo[1,2-a]pyrimidine;pyrrolo[1,2-b]pyridazine;bis(1H-pyrrolo[2,3-b]pyridine);1H-pyrrolo[2,3-c]pyridine;pyrrolo[1,2-c]pyrimidine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine has a molecular weight of 5097.45 g/mol, XLogP of 60.76, 0 rotatable bonds, 6 hydrogen bond donors, and 54 hydrogen bond acceptors.

Where does this data come from?

All data for 1H-benzimidazole;bis(1-benzofuran);1,3-benzothiazole;bis(1-benzothiophene);1,3-benzoxazole;5H-cyclopenta[b]pyridine;tris(6H-cyclopenta[b]pyridine);5H-cyclopenta[c]pyridine;tris(6H-cyclopenta[c]pyridine);bis(furo[2,3-b]pyridine);furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;imidazo[1,2-a]pyridine;tris(2H-indene);bis(1H-indole);tris(2H-indole);indolizine;methane;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrazine;pyrrolo[1,2-a]pyrimidine;pyrrolo[1,2-b]pyridazine;bis(1H-pyrrolo[2,3-b]pyridine);1H-pyrrolo[2,3-c]pyridine;pyrrolo[1,2-c]pyrimidine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine is sourced from PubChem (CID 159855858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).