benzene;2,6-dimethyl-1H-benzimidazole;2,6-dimethyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzoxazole;2,6-dimethyl-3,5-dihydroimidazo[4,5-f]benzimidazole;2,6-dimethyl-[1,3]oxazolo[4,5-f][1,3]benzoxazole;2,6-dimethyl-[1,3]thiazolo[4,5-f][1,3]benzothiazole;ethane;2-methyl-6-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazole;2-methyl-6-(2-methyl-1,3-benzothiazol-6-yl)-1,3-benzothiazole;2-methyl-6-(2-methyl-1,3-benzoxazol-6-yl)-1,3-benzoxazole

C153H164N20O5S5 — CID 158495344

About benzene;2,6-dimethyl-1H-benzimidazole;2,6-dimethyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzoxazole;2,6-dimethyl-3,5-dihydroimidazo[4,5-f]benzimidazole;2,6-dimethyl-[1,3]oxazolo[4,5-f][1,3]benzoxazole;2,6-dimethyl-[1,3]thiazolo[4,5-f][1,3]benzothiazole;ethane;2-methyl-6-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazole;2-methyl-6-(2-methyl-1,3-benzothiazol-6-yl)-1,3-benzothiazole;2-methyl-6-(2-methyl-1,3-benzoxazol-6-yl)-1,3-benzoxazole

benzene;2,6-dimethyl-1H-benzimidazole;2,6-dimethyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzoxazole;2,6-dimethyl-3,5-dihydroimidazo[4,5-f]benzimidazole;2,6-dimethyl-[1,3]oxazolo[4,5-f][1,3]benzoxazole;2,6-dimethyl-[1,3]thiazolo[4,5-f][1,3]benzothiazole;ethane;2-methyl-6-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazole;2-methyl-6-(2-methyl-1,3-benzothiazol-6-yl)-1,3-benzothiazole;2-methyl-6-(2-methyl-1,3-benzoxazol-6-yl)-1,3-benzoxazole (PubChem CID 158495344) has the molecular formula C153H164N20O5S5 and a molecular weight of 2523.46 g/mol. Its IUPAC name is benzene;2,6-dimethyl-1H-benzimidazole;2,6-dimethyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzoxazole;2,6-dimethyl-3,5-dihydroimidazo[4,5-f]benzimidazole;2,6-dimethyl-[1,3]oxazolo[4,5-f][1,3]benzoxazole;2,6-dimethyl-[1,3]thiazolo[4,5-f][1,3]benzothiazole;ethane;2-methyl-6-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazole;2-methyl-6-(2-methyl-1,3-benzothiazol-6-yl)-1,3-benzothiazole;2-methyl-6-(2-methyl-1,3-benzoxazol-6-yl)-1,3-benzoxazole.

Molecular Properties

• Compound Name: benzene;2,6-dimethyl-1H-benzimidazole;2,6-dimethyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzoxazole;2,6-dimethyl-3,5-dihydroimidazo[4,5-f]benzimidazole;2,6-dimethyl-[1,3]oxazolo[4,5-f][1,3]benzoxazole;2,6-dimethyl-[1,3]thiazolo[4,5-f][1,3]benzothiazole;ethane;2-methyl-6-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazole;2-methyl-6-(2-methyl-1,3-benzothiazol-6-yl)-1,3-benzothiazole;2-methyl-6-(2-methyl-1,3-benzoxazol-6-yl)-1,3-benzoxazole
• PubChem CID: 158495344
• Molecular Formula: C153H164N20O5S5
• Molecular Weight: 2523.46 g/mol
• Exact Mass: 2521.18
• IUPAC Name: benzene;2,6-dimethyl-1H-benzimidazole;2,6-dimethyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzoxazole;2,6-dimethyl-3,5-dihydroimidazo[4,5-f]benzimidazole;2,6-dimethyl-[1,3]oxazolo[4,5-f][1,3]benzoxazole;2,6-dimethyl-[1,3]thiazolo[4,5-f][1,3]benzothiazole;ethane;2-methyl-6-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazole;2-methyl-6-(2-methyl-1,3-benzothiazol-6-yl)-1,3-benzothiazole;2-methyl-6-(2-methyl-1,3-benzoxazol-6-yl)-1,3-benzoxazole
• SMILES: CC.CC.CC.CC.CC.CC.Cc1ccc2nc(C)[nH]c2c1.Cc1ccc2nc(C)oc2c1.Cc1ccc2nc(C)sc2c1.Cc1nc2cc3nc(C)[nH]c3cc2[nH]1.Cc1nc2cc3nc(C)oc3cc2o1.Cc1nc2cc3nc(C)sc3cc2s1.Cc1nc2ccc(-c3ccc4nc(C)[nH]c4c3)cc2[nH]1.Cc1nc2ccc(-c3ccc4nc(C)oc4c3)cc2o1.Cc1nc2ccc(-c3ccc4nc(C)sc4c3)cc2s1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
• InChI: InChI=1S/C16H14N4.C16H12N2O2.C16H12N2S2.C10H10N4.C10H8N2O2.C10H8N2S2.C9H10N2.C9H9NO.C9H9NS.6C6H6.6C2H6/c3*1-9-17-13-5-3-11(7-15(13)19-9)12-4-6-14-16(8-12)20-10(2)18-14;1-5-11-7-3-9-10(4-8(7)12-5)14-6(2)13-9;2*1-5-11-7-3-8-10(4-9(7)13-5)14-6(2)12-8;3*1-6-3-4-8-9(5-6)11-7(2)10-8;6*1-2-4-6-5-3-1;6*1-2/h3-8H,1-2H3,(H,17,19)(H,18,20);2*3-8H,1-2H3;3-4H,1-2H3,(H,11,12)(H,13,14);2*3-4H,1-2H3;3-5H,1-2H3,(H,10,11);2*3-5H,1-2H3;6*1-6H;6*1-2H3
• InChIKey: HJFFDKCDUTWEDW-UHFFFAOYSA-N
• XLogP: 45.14
• TPSA: 338.00 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 3
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2523.46
LogP ≤ 5	45.14
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of benzene;2,6-dimethyl-1H-benzimidazole;2,6-dimethyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzoxazole;2,6-dimethyl-3,5-dihydroimidazo[4,5-f]benzimidazole;2,6-dimethyl-[1,3]oxazolo[4,5-f][1,3]benzoxazole;2,6-dimethyl-[1,3]thiazolo[4,5-f][1,3]benzothiazole;ethane;2-methyl-6-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazole;2-methyl-6-(2-methyl-1,3-benzothiazol-6-yl)-1,3-benzothiazole;2-methyl-6-(2-methyl-1,3-benzoxazol-6-yl)-1,3-benzoxazole?

The IUPAC name of benzene;2,6-dimethyl-1H-benzimidazole;2,6-dimethyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzoxazole;2,6-dimethyl-3,5-dihydroimidazo[4,5-f]benzimidazole;2,6-dimethyl-[1,3]oxazolo[4,5-f][1,3]benzoxazole;2,6-dimethyl-[1,3]thiazolo[4,5-f][1,3]benzothiazole;ethane;2-methyl-6-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazole;2-methyl-6-(2-methyl-1,3-benzothiazol-6-yl)-1,3-benzothiazole;2-methyl-6-(2-methyl-1,3-benzoxazol-6-yl)-1,3-benzoxazole (CID 158495344) is benzene;2,6-dimethyl-1H-benzimidazole;2,6-dimethyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzoxazole;2,6-dimethyl-3,5-dihydroimidazo[4,5-f]benzimidazole;2,6-dimethyl-[1,3]oxazolo[4,5-f][1,3]benzoxazole;2,6-dimethyl-[1,3]thiazolo[4,5-f][1,3]benzothiazole;ethane;2-methyl-6-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazole;2-methyl-6-(2-methyl-1,3-benzothiazol-6-yl)-1,3-benzothiazole;2-methyl-6-(2-methyl-1,3-benzoxazol-6-yl)-1,3-benzoxazole.

What is the SMILES notation for benzene;2,6-dimethyl-1H-benzimidazole;2,6-dimethyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzoxazole;2,6-dimethyl-3,5-dihydroimidazo[4,5-f]benzimidazole;2,6-dimethyl-[1,3]oxazolo[4,5-f][1,3]benzoxazole;2,6-dimethyl-[1,3]thiazolo[4,5-f][1,3]benzothiazole;ethane;2-methyl-6-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazole;2-methyl-6-(2-methyl-1,3-benzothiazol-6-yl)-1,3-benzothiazole;2-methyl-6-(2-methyl-1,3-benzoxazol-6-yl)-1,3-benzoxazole?

The canonical SMILES for benzene;2,6-dimethyl-1H-benzimidazole;2,6-dimethyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzoxazole;2,6-dimethyl-3,5-dihydroimidazo[4,5-f]benzimidazole;2,6-dimethyl-[1,3]oxazolo[4,5-f][1,3]benzoxazole;2,6-dimethyl-[1,3]thiazolo[4,5-f][1,3]benzothiazole;ethane;2-methyl-6-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazole;2-methyl-6-(2-methyl-1,3-benzothiazol-6-yl)-1,3-benzothiazole;2-methyl-6-(2-methyl-1,3-benzoxazol-6-yl)-1,3-benzoxazole is CC.CC.CC.CC.CC.CC.Cc1ccc2nc(C)[nH]c2c1.Cc1ccc2nc(C)oc2c1.Cc1ccc2nc(C)sc2c1.Cc1nc2cc3nc(C)[nH]c3cc2[nH]1.Cc1nc2cc3nc(C)oc3cc2o1.Cc1nc2cc3nc(C)sc3cc2s1.Cc1nc2ccc(-c3ccc4nc(C)[nH]c4c3)cc2[nH]1.Cc1nc2ccc(-c3ccc4nc(C)oc4c3)cc2o1.Cc1nc2ccc(-c3ccc4nc(C)sc4c3)cc2s1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.

What is the InChIKey of benzene;2,6-dimethyl-1H-benzimidazole;2,6-dimethyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzoxazole;2,6-dimethyl-3,5-dihydroimidazo[4,5-f]benzimidazole;2,6-dimethyl-[1,3]oxazolo[4,5-f][1,3]benzoxazole;2,6-dimethyl-[1,3]thiazolo[4,5-f][1,3]benzothiazole;ethane;2-methyl-6-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazole;2-methyl-6-(2-methyl-1,3-benzothiazol-6-yl)-1,3-benzothiazole;2-methyl-6-(2-methyl-1,3-benzoxazol-6-yl)-1,3-benzoxazole?

The InChIKey is HJFFDKCDUTWEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4.C16H12N2O2.C16H12N2S2.C10H10N4.C10H8N2O2.C10H8N2S2.C9H10N2.C9H9NO.C9H9NS.6C6H6.6C2H6/c3*1-9-17-13-5-3-11(7-15(13)19-9)12-4-6-14-16(8-12)20-10(2)18-14;1-5-11-7-3-9-10(4-8(7)12-5)14-6(2)13-9;2*1-5-11-7-3-8-10(4-9(7)13-5)14-6(2)12-8;3*1-6-3-4-8-9(5-6)11-7(2)10-8;6*1-2-4-6-5-3-1;6*1-2/h3-8H,1-2H3,(H,17,19)(H,18,20);2*3-8H,1-2H3;3-4H,1-2H3,(H,11,12)(H,13,14);2*3-4H,1-2H3;3-5H,1-2H3,(H,10,11);2*3-5H,1-2H3;6*1-6H;6*1-2H3.

What are the key properties of benzene;2,6-dimethyl-1H-benzimidazole;2,6-dimethyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzoxazole;2,6-dimethyl-3,5-dihydroimidazo[4,5-f]benzimidazole;2,6-dimethyl-[1,3]oxazolo[4,5-f][1,3]benzoxazole;2,6-dimethyl-[1,3]thiazolo[4,5-f][1,3]benzothiazole;ethane;2-methyl-6-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazole;2-methyl-6-(2-methyl-1,3-benzothiazol-6-yl)-1,3-benzothiazole;2-methyl-6-(2-methyl-1,3-benzoxazol-6-yl)-1,3-benzoxazole?

benzene;2,6-dimethyl-1H-benzimidazole;2,6-dimethyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzoxazole;2,6-dimethyl-3,5-dihydroimidazo[4,5-f]benzimidazole;2,6-dimethyl-[1,3]oxazolo[4,5-f][1,3]benzoxazole;2,6-dimethyl-[1,3]thiazolo[4,5-f][1,3]benzothiazole;ethane;2-methyl-6-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazole;2-methyl-6-(2-methyl-1,3-benzothiazol-6-yl)-1,3-benzothiazole;2-methyl-6-(2-methyl-1,3-benzoxazol-6-yl)-1,3-benzoxazole has a molecular weight of 2523.46 g/mol, XLogP of 45.14, 3 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for benzene;2,6-dimethyl-1H-benzimidazole;2,6-dimethyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzoxazole;2,6-dimethyl-3,5-dihydroimidazo[4,5-f]benzimidazole;2,6-dimethyl-[1,3]oxazolo[4,5-f][1,3]benzoxazole;2,6-dimethyl-[1,3]thiazolo[4,5-f][1,3]benzothiazole;ethane;2-methyl-6-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazole;2-methyl-6-(2-methyl-1,3-benzothiazol-6-yl)-1,3-benzothiazole;2-methyl-6-(2-methyl-1,3-benzoxazol-6-yl)-1,3-benzoxazole is sourced from PubChem (CID 158495344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).