2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;6-methyl-2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-3,5-dihydroimidazo[4,5-f]benzimidazole;5-methyl-11-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-2,4,6,10,12-pentazatricyclo[7.3.0.03,7]dodeca-1(9),2,4,7,11-pentaene;6-methyl-2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-[1,3]thiazolo[4,5-f][1,3]benzothiazole;6-methyl-2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazole

C106H87N25O2S4 — CID 157391428

About 2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;6-methyl-2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-3,5-dihydroimidazo[4,5-f]benzimidazole;5-methyl-11-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-2,4,6,10,12-pentazatricyclo[7.3.0.03,7]dodeca-1(9),2,4,7,11-pentaene;6-methyl-2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-[1,3]thiazolo[4,5-f][1,3]benzothiazole;6-methyl-2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazole

2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;6-methyl-2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-3,5-dihydroimidazo[4,5-f]benzimidazole;5-methyl-11-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-2,4,6,10,12-pentazatricyclo[7.3.0.03,7]dodeca-1(9),2,4,7,11-pentaene;6-methyl-2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-[1,3]thiazolo[4,5-f][1,3]benzothiazole;6-methyl-2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazole (PubChem CID 157391428) has the molecular formula C106H87N25O2S4 and a molecular weight of 1871.30 g/mol. Its IUPAC name is 2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;6-methyl-2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-3,5-dihydroimidazo[4,5-f]benzimidazole;5-methyl-11-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-2,4,6,10,12-pentazatricyclo[7.3.0.03,7]dodeca-1(9),2,4,7,11-pentaene;6-methyl-2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-[1,3]thiazolo[4,5-f][1,3]benzothiazole;6-methyl-2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazole.

Molecular Properties

• Compound Name: 2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;6-methyl-2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-3,5-dihydroimidazo[4,5-f]benzimidazole;5-methyl-11-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-2,4,6,10,12-pentazatricyclo[7.3.0.03,7]dodeca-1(9),2,4,7,11-pentaene;6-methyl-2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-[1,3]thiazolo[4,5-f][1,3]benzothiazole;6-methyl-2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazole
• PubChem CID: 157391428
• Molecular Formula: C106H87N25O2S4
• Molecular Weight: 1871.30 g/mol
• Exact Mass: 1869.64
• IUPAC Name: 2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;6-methyl-2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-3,5-dihydroimidazo[4,5-f]benzimidazole;5-methyl-11-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-2,4,6,10,12-pentazatricyclo[7.3.0.03,7]dodeca-1(9),2,4,7,11-pentaene;6-methyl-2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-[1,3]thiazolo[4,5-f][1,3]benzothiazole;6-methyl-2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazole
• SMILES: Cc1ccc(-c2ccc(-c3nc4cc5nc(C)[nH]c5cc4[nH]3)cn2)nc1.Cc1ccc(-c2ccc(-c3nc4cc5nc(C)sc5cc4s3)cn2)nc1.Cc1ccc(-c2ccc(-c3nc4cc5sc(C)nc5cc4s3)cn2)nc1.Cc1ccc(-c2ccc(-c3nc4nc5nc(C)[nH]c5cc4[nH]3)cn2)nc1.Cc1ccc2nc(C)[nH]c2c1.Cc1ccc2nc(C)oc2c1.Cc1ccc2oc(C)nc2c1
• InChI: InChI=1S/C20H16N6.2C20H14N4S2.C19H15N7.C9H10N2.2C9H9NO/c1-11-3-5-14(21-9-11)15-6-4-13(10-22-15)20-25-18-7-16-17(8-19(18)26-20)24-12(2)23-16;1-11-3-5-14(21-9-11)15-6-4-13(10-22-15)20-24-17-8-18-16(7-19(17)26-20)23-12(2)25-18;1-11-3-5-14(21-9-11)15-6-4-13(10-22-15)20-24-17-7-16-18(8-19(17)26-20)25-12(2)23-16;1-10-3-5-13(20-8-10)14-6-4-12(9-21-14)17-24-16-7-15-18(23-11(2)22-15)26-19(16)25-17;1-6-3-4-8-9(5-6)11-7(2)10-8;1-6-3-4-9-8(5-6)10-7(2)11-9;1-6-3-4-8-9(5-6)11-7(2)10-8/h3-10H,1-2H3,(H,23,24)(H,25,26);2*3-10H,1-2H3;3-9H,1-2H3,(H2,22,23,24,25,26);3-5H,1-2H3,(H,10,11);2*3-5H,1-2H3
• InChIKey: BMBBBPQBBYPRCC-UHFFFAOYSA-N
• XLogP: 26.12
• TPSA: 363.03 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 26
• Rotatable Bonds: 8
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1871.30
LogP ≤ 5	26.12
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;6-methyl-2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-3,5-dihydroimidazo[4,5-f]benzimidazole;5-methyl-11-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-2,4,6,10,12-pentazatricyclo[7.3.0.03,7]dodeca-1(9),2,4,7,11-pentaene;6-methyl-2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-[1,3]thiazolo[4,5-f][1,3]benzothiazole;6-methyl-2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazole?

The IUPAC name of 2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;6-methyl-2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-3,5-dihydroimidazo[4,5-f]benzimidazole;5-methyl-11-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-2,4,6,10,12-pentazatricyclo[7.3.0.03,7]dodeca-1(9),2,4,7,11-pentaene;6-methyl-2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-[1,3]thiazolo[4,5-f][1,3]benzothiazole;6-methyl-2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazole (CID 157391428) is 2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;6-methyl-2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-3,5-dihydroimidazo[4,5-f]benzimidazole;5-methyl-11-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-2,4,6,10,12-pentazatricyclo[7.3.0.03,7]dodeca-1(9),2,4,7,11-pentaene;6-methyl-2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-[1,3]thiazolo[4,5-f][1,3]benzothiazole;6-methyl-2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazole.

What is the SMILES notation for 2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;6-methyl-2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-3,5-dihydroimidazo[4,5-f]benzimidazole;5-methyl-11-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-2,4,6,10,12-pentazatricyclo[7.3.0.03,7]dodeca-1(9),2,4,7,11-pentaene;6-methyl-2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-[1,3]thiazolo[4,5-f][1,3]benzothiazole;6-methyl-2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazole?

The canonical SMILES for 2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;6-methyl-2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-3,5-dihydroimidazo[4,5-f]benzimidazole;5-methyl-11-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-2,4,6,10,12-pentazatricyclo[7.3.0.03,7]dodeca-1(9),2,4,7,11-pentaene;6-methyl-2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-[1,3]thiazolo[4,5-f][1,3]benzothiazole;6-methyl-2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazole is Cc1ccc(-c2ccc(-c3nc4cc5nc(C)[nH]c5cc4[nH]3)cn2)nc1.Cc1ccc(-c2ccc(-c3nc4cc5nc(C)sc5cc4s3)cn2)nc1.Cc1ccc(-c2ccc(-c3nc4cc5sc(C)nc5cc4s3)cn2)nc1.Cc1ccc(-c2ccc(-c3nc4nc5nc(C)[nH]c5cc4[nH]3)cn2)nc1.Cc1ccc2nc(C)[nH]c2c1.Cc1ccc2nc(C)oc2c1.Cc1ccc2oc(C)nc2c1.

What is the InChIKey of 2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;6-methyl-2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-3,5-dihydroimidazo[4,5-f]benzimidazole;5-methyl-11-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-2,4,6,10,12-pentazatricyclo[7.3.0.03,7]dodeca-1(9),2,4,7,11-pentaene;6-methyl-2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-[1,3]thiazolo[4,5-f][1,3]benzothiazole;6-methyl-2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazole?

The InChIKey is BMBBBPQBBYPRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6.2C20H14N4S2.C19H15N7.C9H10N2.2C9H9NO/c1-11-3-5-14(21-9-11)15-6-4-13(10-22-15)20-25-18-7-16-17(8-19(18)26-20)24-12(2)23-16;1-11-3-5-14(21-9-11)15-6-4-13(10-22-15)20-24-17-8-18-16(7-19(17)26-20)23-12(2)25-18;1-11-3-5-14(21-9-11)15-6-4-13(10-22-15)20-24-17-7-16-18(8-19(17)26-20)25-12(2)23-16;1-10-3-5-13(20-8-10)14-6-4-12(9-21-14)17-24-16-7-15-18(23-11(2)22-15)26-19(16)25-17;1-6-3-4-8-9(5-6)11-7(2)10-8;1-6-3-4-9-8(5-6)10-7(2)11-9;1-6-3-4-8-9(5-6)11-7(2)10-8/h3-10H,1-2H3,(H,23,24)(H,25,26);2*3-10H,1-2H3;3-9H,1-2H3,(H2,22,23,24,25,26);3-5H,1-2H3,(H,10,11);2*3-5H,1-2H3.

What are the key properties of 2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;6-methyl-2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-3,5-dihydroimidazo[4,5-f]benzimidazole;5-methyl-11-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-2,4,6,10,12-pentazatricyclo[7.3.0.03,7]dodeca-1(9),2,4,7,11-pentaene;6-methyl-2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-[1,3]thiazolo[4,5-f][1,3]benzothiazole;6-methyl-2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazole?

2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;6-methyl-2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-3,5-dihydroimidazo[4,5-f]benzimidazole;5-methyl-11-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-2,4,6,10,12-pentazatricyclo[7.3.0.03,7]dodeca-1(9),2,4,7,11-pentaene;6-methyl-2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-[1,3]thiazolo[4,5-f][1,3]benzothiazole;6-methyl-2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazole has a molecular weight of 1871.30 g/mol, XLogP of 26.12, 8 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;6-methyl-2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-3,5-dihydroimidazo[4,5-f]benzimidazole;5-methyl-11-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-2,4,6,10,12-pentazatricyclo[7.3.0.03,7]dodeca-1(9),2,4,7,11-pentaene;6-methyl-2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-[1,3]thiazolo[4,5-f][1,3]benzothiazole;6-methyl-2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazole is sourced from PubChem (CID 157391428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).