bis(1H-benzimidazole);bis(2H-benzimidazole);tris(1-benzofuran);1,3-benzothiazole;1-benzothiophene;bis(1,3-benzoxazole);2-(1,1-difluoroethyl)pyridine;3-(1,1-difluoroethyl)pyridine;N,N-dimethylpyrimidin-2-amine;2-ethyl-6-methoxypyridine;N-ethynyl-2-pyridin-4-ylethanamine;bis(furo[2,3-b]pyridine);imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;2H-indene;bis(1H-indole);2-methylideneindole;2-methyl-1,5-naphthyridine;1,5-naphthyridine;2-piperidin-1-ylpyridine;3-piperidin-1-ylpyridine;pyrazine;bis(pyridine);pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;quinoline;[1,2,4]triazolo[1,5-a]pyridine

C269H250F4N54O8S3 — CID 162093117

About bis(1H-benzimidazole);bis(2H-benzimidazole);tris(1-benzofuran);1,3-benzothiazole;1-benzothiophene;bis(1,3-benzoxazole);2-(1,1-difluoroethyl)pyridine;3-(1,1-difluoroethyl)pyridine;N,N-dimethylpyrimidin-2-amine;2-ethyl-6-methoxypyridine;N-ethynyl-2-pyridin-4-ylethanamine;bis(furo[2,3-b]pyridine);imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;2H-indene;bis(1H-indole);2-methylideneindole;2-methyl-1,5-naphthyridine;1,5-naphthyridine;2-piperidin-1-ylpyridine;3-piperidin-1-ylpyridine;pyrazine;bis(pyridine);pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;quinoline;[1,2,4]triazolo[1,5-a]pyridine

bis(1H-benzimidazole);bis(2H-benzimidazole);tris(1-benzofuran);1,3-benzothiazole;1-benzothiophene;bis(1,3-benzoxazole);2-(1,1-difluoroethyl)pyridine;3-(1,1-difluoroethyl)pyridine;N,N-dimethylpyrimidin-2-amine;2-ethyl-6-methoxypyridine;N-ethynyl-2-pyridin-4-ylethanamine;bis(furo[2,3-b]pyridine);imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;2H-indene;bis(1H-indole);2-methylideneindole;2-methyl-1,5-naphthyridine;1,5-naphthyridine;2-piperidin-1-ylpyridine;3-piperidin-1-ylpyridine;pyrazine;bis(pyridine);pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;quinoline;[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 162093117) has the molecular formula C269H250F4N54O8S3 and a molecular weight of 4539.52 g/mol. Its IUPAC name is bis(1H-benzimidazole);bis(2H-benzimidazole);tris(1-benzofuran);1,3-benzothiazole;1-benzothiophene;bis(1,3-benzoxazole);2-(1,1-difluoroethyl)pyridine;3-(1,1-difluoroethyl)pyridine;N,N-dimethylpyrimidin-2-amine;2-ethyl-6-methoxypyridine;N-ethynyl-2-pyridin-4-ylethanamine;bis(furo[2,3-b]pyridine);imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;2H-indene;bis(1H-indole);2-methylideneindole;2-methyl-1,5-naphthyridine;1,5-naphthyridine;2-piperidin-1-ylpyridine;3-piperidin-1-ylpyridine;pyrazine;bis(pyridine);pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;quinoline;[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

• Compound Name: bis(1H-benzimidazole);bis(2H-benzimidazole);tris(1-benzofuran);1,3-benzothiazole;1-benzothiophene;bis(1,3-benzoxazole);2-(1,1-difluoroethyl)pyridine;3-(1,1-difluoroethyl)pyridine;N,N-dimethylpyrimidin-2-amine;2-ethyl-6-methoxypyridine;N-ethynyl-2-pyridin-4-ylethanamine;bis(furo[2,3-b]pyridine);imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;2H-indene;bis(1H-indole);2-methylideneindole;2-methyl-1,5-naphthyridine;1,5-naphthyridine;2-piperidin-1-ylpyridine;3-piperidin-1-ylpyridine;pyrazine;bis(pyridine);pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;quinoline;[1,2,4]triazolo[1,5-a]pyridine
• PubChem CID: 162093117
• Molecular Formula: C269H250F4N54O8S3
• Molecular Weight: 4539.52 g/mol
• Exact Mass: 4535.99
• IUPAC Name: bis(1H-benzimidazole);bis(2H-benzimidazole);tris(1-benzofuran);1,3-benzothiazole;1-benzothiophene;bis(1,3-benzoxazole);2-(1,1-difluoroethyl)pyridine;3-(1,1-difluoroethyl)pyridine;N,N-dimethylpyrimidin-2-amine;2-ethyl-6-methoxypyridine;N-ethynyl-2-pyridin-4-ylethanamine;bis(furo[2,3-b]pyridine);imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;2H-indene;bis(1H-indole);2-methylideneindole;2-methyl-1,5-naphthyridine;1,5-naphthyridine;2-piperidin-1-ylpyridine;3-piperidin-1-ylpyridine;pyrazine;bis(pyridine);pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;quinoline;[1,2,4]triazolo[1,5-a]pyridine
• SMILES: C#CNCCc1ccncc1.C1=c2ccccc2=CC1.C=C1C=c2ccccc2=N1.CC(F)(F)c1ccccn1.CC(F)(F)c1cccnc1.CCc1cccc(OC)n1.CN(C)c1ncccn1.Cc1ccc2ncccc2n1.c1ccc(N2CCCCC2)nc1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2[nH]cnc2c1.c1ccc2c(c1)=NCN=2.c1ccc2c(c1)=NCN=2.c1ccc2ncccc2c1.c1ccc2occc2c1.c1ccc2occc2c1.c1ccc2occc2c1.c1ccc2ocnc2c1.c1ccc2ocnc2c1.c1ccc2sccc2c1.c1ccc2scnc2c1.c1ccn2ccnc2c1.c1ccn2ncnc2c1.c1ccncc1.c1ccncc1.c1cnc2cc[nH]c2c1.c1cnc2cccnc2c1.c1cnc2nccn2c1.c1cnc2occc2c1.c1cnc2occc2c1.c1cncc(N2CCCCC2)c1.c1cnccn1.c1cncnc1.c1cnn2ccnc2c1.c1csc(N2CCCC2)n1
• InChI: InChI=1S/2C10H14N2.C9H8N2.C9H10N2.2C9H7N.C9H8.C8H6N2.C8H11NO.2C8H7N.3C8H6O.C8H6S.2C7H7F2N.C7H10N2S.6C7H6N2.4C7H5NO.C7H5NS.3C6H5N3.C6H9N3.2C5H5N.2C4H4N2/c1-4-8-12(9-5-1)10-6-2-3-7-11-10;1-2-7-12(8-3-1)10-5-4-6-11-9-10;1-7-4-5-8-9(11-7)3-2-6-10-8;1-2-10-6-3-9-4-7-11-8-5-9;1-7-6-8-4-2-3-5-9(8)10-7;1-2-6-9-8(4-1)5-3-7-10-9;1-2-5-9-7-3-6-8(9)4-1;1-3-7-8(9-5-1)4-2-6-10-7;1-3-7-5-4-6-8(9-7)10-2;6*1-2-4-8-7(3-1)5-6-9-8;1-7(8,9)6-3-2-4-10-5-6;1-7(8,9)6-4-2-3-5-10-6;1-2-5-9(4-1)7-8-3-6-10-7;1-2-6-7(8-4-1)3-5-9-6;1-2-5-9-6-4-8-7(9)3-1;4*1-2-4-7-6(3-1)8-5-9-7;2*1-2-6-3-5-9-7(6)8-4-1;3*1-2-4-7-6(3-1)8-5-9-7;1-2-7-6-8-3-5-9(6)4-1;1-2-6-7-4-5-9(6)8-3-1;1-2-4-9-6(3-1)7-5-8-9;1-9(2)6-7-4-3-5-8-6;2*1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1/h2-3,6-7H,1,4-5,8-9H2;4-6,9H,1-3,7-8H2;2-6H,1H3;1,4-5,7-8,10H,3,6H2;2-6H,1H2;1-7H;1-2,4-7H,3H2;1-6H;4-6H,3H2,1-2H3;2*1-6,9H;4*1-6H;2*2-5H,1H3;3,6H,1-2,4-5H2;1-5,9H;1-6H;2*1-4H,5H2;2*1-5H,(H,8,9);8*1-5H;3-5H,1-2H3;2*1-5H;2*1-4H
• InChIKey: ZDWNCGWABVWXDG-UHFFFAOYSA-N
• XLogP: 55.61
• TPSA: 735.74 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 60
• Rotatable Bonds: 11
• Heavy Atoms: 338
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4539.52
LogP ≤ 5	55.61
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	60

Frequently Asked Questions

What is the IUPAC name of bis(1H-benzimidazole);bis(2H-benzimidazole);tris(1-benzofuran);1,3-benzothiazole;1-benzothiophene;bis(1,3-benzoxazole);2-(1,1-difluoroethyl)pyridine;3-(1,1-difluoroethyl)pyridine;N,N-dimethylpyrimidin-2-amine;2-ethyl-6-methoxypyridine;N-ethynyl-2-pyridin-4-ylethanamine;bis(furo[2,3-b]pyridine);imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;2H-indene;bis(1H-indole);2-methylideneindole;2-methyl-1,5-naphthyridine;1,5-naphthyridine;2-piperidin-1-ylpyridine;3-piperidin-1-ylpyridine;pyrazine;bis(pyridine);pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;quinoline;[1,2,4]triazolo[1,5-a]pyridine?

The IUPAC name of bis(1H-benzimidazole);bis(2H-benzimidazole);tris(1-benzofuran);1,3-benzothiazole;1-benzothiophene;bis(1,3-benzoxazole);2-(1,1-difluoroethyl)pyridine;3-(1,1-difluoroethyl)pyridine;N,N-dimethylpyrimidin-2-amine;2-ethyl-6-methoxypyridine;N-ethynyl-2-pyridin-4-ylethanamine;bis(furo[2,3-b]pyridine);imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;2H-indene;bis(1H-indole);2-methylideneindole;2-methyl-1,5-naphthyridine;1,5-naphthyridine;2-piperidin-1-ylpyridine;3-piperidin-1-ylpyridine;pyrazine;bis(pyridine);pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;quinoline;[1,2,4]triazolo[1,5-a]pyridine (CID 162093117) is bis(1H-benzimidazole);bis(2H-benzimidazole);tris(1-benzofuran);1,3-benzothiazole;1-benzothiophene;bis(1,3-benzoxazole);2-(1,1-difluoroethyl)pyridine;3-(1,1-difluoroethyl)pyridine;N,N-dimethylpyrimidin-2-amine;2-ethyl-6-methoxypyridine;N-ethynyl-2-pyridin-4-ylethanamine;bis(furo[2,3-b]pyridine);imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;2H-indene;bis(1H-indole);2-methylideneindole;2-methyl-1,5-naphthyridine;1,5-naphthyridine;2-piperidin-1-ylpyridine;3-piperidin-1-ylpyridine;pyrazine;bis(pyridine);pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;quinoline;[1,2,4]triazolo[1,5-a]pyridine.

What is the SMILES notation for bis(1H-benzimidazole);bis(2H-benzimidazole);tris(1-benzofuran);1,3-benzothiazole;1-benzothiophene;bis(1,3-benzoxazole);2-(1,1-difluoroethyl)pyridine;3-(1,1-difluoroethyl)pyridine;N,N-dimethylpyrimidin-2-amine;2-ethyl-6-methoxypyridine;N-ethynyl-2-pyridin-4-ylethanamine;bis(furo[2,3-b]pyridine);imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;2H-indene;bis(1H-indole);2-methylideneindole;2-methyl-1,5-naphthyridine;1,5-naphthyridine;2-piperidin-1-ylpyridine;3-piperidin-1-ylpyridine;pyrazine;bis(pyridine);pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;quinoline;[1,2,4]triazolo[1,5-a]pyridine?

The canonical SMILES for bis(1H-benzimidazole);bis(2H-benzimidazole);tris(1-benzofuran);1,3-benzothiazole;1-benzothiophene;bis(1,3-benzoxazole);2-(1,1-difluoroethyl)pyridine;3-(1,1-difluoroethyl)pyridine;N,N-dimethylpyrimidin-2-amine;2-ethyl-6-methoxypyridine;N-ethynyl-2-pyridin-4-ylethanamine;bis(furo[2,3-b]pyridine);imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;2H-indene;bis(1H-indole);2-methylideneindole;2-methyl-1,5-naphthyridine;1,5-naphthyridine;2-piperidin-1-ylpyridine;3-piperidin-1-ylpyridine;pyrazine;bis(pyridine);pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;quinoline;[1,2,4]triazolo[1,5-a]pyridine is C#CNCCc1ccncc1.C1=c2ccccc2=CC1.C=C1C=c2ccccc2=N1.CC(F)(F)c1ccccn1.CC(F)(F)c1cccnc1.CCc1cccc(OC)n1.CN(C)c1ncccn1.Cc1ccc2ncccc2n1.c1ccc(N2CCCCC2)nc1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2[nH]cnc2c1.c1ccc2c(c1)=NCN=2.c1ccc2c(c1)=NCN=2.c1ccc2ncccc2c1.c1ccc2occc2c1.c1ccc2occc2c1.c1ccc2occc2c1.c1ccc2ocnc2c1.c1ccc2ocnc2c1.c1ccc2sccc2c1.c1ccc2scnc2c1.c1ccn2ccnc2c1.c1ccn2ncnc2c1.c1ccncc1.c1ccncc1.c1cnc2cc[nH]c2c1.c1cnc2cccnc2c1.c1cnc2nccn2c1.c1cnc2occc2c1.c1cnc2occc2c1.c1cncc(N2CCCCC2)c1.c1cnccn1.c1cncnc1.c1cnn2ccnc2c1.c1csc(N2CCCC2)n1.

What is the InChIKey of bis(1H-benzimidazole);bis(2H-benzimidazole);tris(1-benzofuran);1,3-benzothiazole;1-benzothiophene;bis(1,3-benzoxazole);2-(1,1-difluoroethyl)pyridine;3-(1,1-difluoroethyl)pyridine;N,N-dimethylpyrimidin-2-amine;2-ethyl-6-methoxypyridine;N-ethynyl-2-pyridin-4-ylethanamine;bis(furo[2,3-b]pyridine);imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;2H-indene;bis(1H-indole);2-methylideneindole;2-methyl-1,5-naphthyridine;1,5-naphthyridine;2-piperidin-1-ylpyridine;3-piperidin-1-ylpyridine;pyrazine;bis(pyridine);pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;quinoline;[1,2,4]triazolo[1,5-a]pyridine?

The InChIKey is ZDWNCGWABVWXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H14N2.C9H8N2.C9H10N2.2C9H7N.C9H8.C8H6N2.C8H11NO.2C8H7N.3C8H6O.C8H6S.2C7H7F2N.C7H10N2S.6C7H6N2.4C7H5NO.C7H5NS.3C6H5N3.C6H9N3.2C5H5N.2C4H4N2/c1-4-8-12(9-5-1)10-6-2-3-7-11-10;1-2-7-12(8-3-1)10-5-4-6-11-9-10;1-7-4-5-8-9(11-7)3-2-6-10-8;1-2-10-6-3-9-4-7-11-8-5-9;1-7-6-8-4-2-3-5-9(8)10-7;1-2-6-9-8(4-1)5-3-7-10-9;1-2-5-9-7-3-6-8(9)4-1;1-3-7-8(9-5-1)4-2-6-10-7;1-3-7-5-4-6-8(9-7)10-2;6*1-2-4-8-7(3-1)5-6-9-8;1-7(8,9)6-3-2-4-10-5-6;1-7(8,9)6-4-2-3-5-10-6;1-2-5-9(4-1)7-8-3-6-10-7;1-2-6-7(8-4-1)3-5-9-6;1-2-5-9-6-4-8-7(9)3-1;4*1-2-4-7-6(3-1)8-5-9-7;2*1-2-6-3-5-9-7(6)8-4-1;3*1-2-4-7-6(3-1)8-5-9-7;1-2-7-6-8-3-5-9(6)4-1;1-2-6-7-4-5-9(6)8-3-1;1-2-4-9-6(3-1)7-5-8-9;1-9(2)6-7-4-3-5-8-6;2*1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1/h2-3,6-7H,1,4-5,8-9H2;4-6,9H,1-3,7-8H2;2-6H,1H3;1,4-5,7-8,10H,3,6H2;2-6H,1H2;1-7H;1-2,4-7H,3H2;1-6H;4-6H,3H2,1-2H3;2*1-6,9H;4*1-6H;2*2-5H,1H3;3,6H,1-2,4-5H2;1-5,9H;1-6H;2*1-4H,5H2;2*1-5H,(H,8,9);8*1-5H;3-5H,1-2H3;2*1-5H;2*1-4H.

What are the key properties of bis(1H-benzimidazole);bis(2H-benzimidazole);tris(1-benzofuran);1,3-benzothiazole;1-benzothiophene;bis(1,3-benzoxazole);2-(1,1-difluoroethyl)pyridine;3-(1,1-difluoroethyl)pyridine;N,N-dimethylpyrimidin-2-amine;2-ethyl-6-methoxypyridine;N-ethynyl-2-pyridin-4-ylethanamine;bis(furo[2,3-b]pyridine);imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;2H-indene;bis(1H-indole);2-methylideneindole;2-methyl-1,5-naphthyridine;1,5-naphthyridine;2-piperidin-1-ylpyridine;3-piperidin-1-ylpyridine;pyrazine;bis(pyridine);pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;quinoline;[1,2,4]triazolo[1,5-a]pyridine?

bis(1H-benzimidazole);bis(2H-benzimidazole);tris(1-benzofuran);1,3-benzothiazole;1-benzothiophene;bis(1,3-benzoxazole);2-(1,1-difluoroethyl)pyridine;3-(1,1-difluoroethyl)pyridine;N,N-dimethylpyrimidin-2-amine;2-ethyl-6-methoxypyridine;N-ethynyl-2-pyridin-4-ylethanamine;bis(furo[2,3-b]pyridine);imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;2H-indene;bis(1H-indole);2-methylideneindole;2-methyl-1,5-naphthyridine;1,5-naphthyridine;2-piperidin-1-ylpyridine;3-piperidin-1-ylpyridine;pyrazine;bis(pyridine);pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;quinoline;[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 4539.52 g/mol, XLogP of 55.61, 11 rotatable bonds, 6 hydrogen bond donors, and 60 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1H-benzimidazole);bis(2H-benzimidazole);tris(1-benzofuran);1,3-benzothiazole;1-benzothiophene;bis(1,3-benzoxazole);2-(1,1-difluoroethyl)pyridine;3-(1,1-difluoroethyl)pyridine;N,N-dimethylpyrimidin-2-amine;2-ethyl-6-methoxypyridine;N-ethynyl-2-pyridin-4-ylethanamine;bis(furo[2,3-b]pyridine);imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;2H-indene;bis(1H-indole);2-methylideneindole;2-methyl-1,5-naphthyridine;1,5-naphthyridine;2-piperidin-1-ylpyridine;3-piperidin-1-ylpyridine;pyrazine;bis(pyridine);pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;quinoline;[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 162093117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).