[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-ethoxy-1H-benzimidazol-4-yl]-pyridin-2-yl-quinolin-2-ylmethanol;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(hydroxy-pyridin-2-yl-quinolin-2-ylmethyl)-1,3-dihydrobenzimidazol-2-one;ethanol

C58H52N10O7 — CID 160525067

About [6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-ethoxy-1H-benzimidazol-4-yl]-pyridin-2-yl-quinolin-2-ylmethanol;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(hydroxy-pyridin-2-yl-quinolin-2-ylmethyl)-1,3-dihydrobenzimidazol-2-one;ethanol

[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-ethoxy-1H-benzimidazol-4-yl]-pyridin-2-yl-quinolin-2-ylmethanol;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(hydroxy-pyridin-2-yl-quinolin-2-ylmethyl)-1,3-dihydrobenzimidazol-2-one;ethanol (PubChem CID 160525067) has the molecular formula C58H52N10O7 and a molecular weight of 1001.12 g/mol. Its IUPAC name is [6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-ethoxy-1H-benzimidazol-4-yl]-pyridin-2-yl-quinolin-2-ylmethanol;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(hydroxy-pyridin-2-yl-quinolin-2-ylmethyl)-1,3-dihydrobenzimidazol-2-one;ethanol.

Molecular Properties

• Compound Name: [6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-ethoxy-1H-benzimidazol-4-yl]-pyridin-2-yl-quinolin-2-ylmethanol;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(hydroxy-pyridin-2-yl-quinolin-2-ylmethyl)-1,3-dihydrobenzimidazol-2-one;ethanol
• PubChem CID: 160525067
• Molecular Formula: C58H52N10O7
• Molecular Weight: 1001.12 g/mol
• Exact Mass: 1000.40
• IUPAC Name: [6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-ethoxy-1H-benzimidazol-4-yl]-pyridin-2-yl-quinolin-2-ylmethanol;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(hydroxy-pyridin-2-yl-quinolin-2-ylmethyl)-1,3-dihydrobenzimidazol-2-one;ethanol
• SMILES: CCO.CCOc1nc2c(C(O)(c3ccccn3)c3ccc4ccccc4n3)cc(-c3c(C)noc3C)cc2[nH]1.Cc1noc(C)c1-c1cc(C(O)(c2ccccn2)c2ccc3ccccc3n2)c2[nH]c(=O)[nH]c2c1
• InChI: InChI=1S/C29H25N5O3.C27H21N5O3.C2H6O/c1-4-36-28-32-23-16-20(26-17(2)34-37-18(26)3)15-21(27(23)33-28)29(35,24-11-7-8-14-30-24)25-13-12-19-9-5-6-10-22(19)31-25;1-15-24(16(2)35-32-15)18-13-19(25-21(14-18)30-26(33)31-25)27(34,22-9-5-6-12-28-22)23-11-10-17-7-3-4-8-20(17)29-23;1-2-3/h5-16,35H,4H2,1-3H3,(H,32,33);3-14,34H,1-2H3,(H2,30,31,33);3H,2H2,1H3
• InChIKey: QUTWWBKXLZRUIB-UHFFFAOYSA-N
• XLogP: 9.81
• TPSA: 250.87 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1001.12
LogP ≤ 5	9.81
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of [6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-ethoxy-1H-benzimidazol-4-yl]-pyridin-2-yl-quinolin-2-ylmethanol;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(hydroxy-pyridin-2-yl-quinolin-2-ylmethyl)-1,3-dihydrobenzimidazol-2-one;ethanol?

The IUPAC name of [6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-ethoxy-1H-benzimidazol-4-yl]-pyridin-2-yl-quinolin-2-ylmethanol;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(hydroxy-pyridin-2-yl-quinolin-2-ylmethyl)-1,3-dihydrobenzimidazol-2-one;ethanol (CID 160525067) is [6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-ethoxy-1H-benzimidazol-4-yl]-pyridin-2-yl-quinolin-2-ylmethanol;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(hydroxy-pyridin-2-yl-quinolin-2-ylmethyl)-1,3-dihydrobenzimidazol-2-one;ethanol.

What is the SMILES notation for [6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-ethoxy-1H-benzimidazol-4-yl]-pyridin-2-yl-quinolin-2-ylmethanol;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(hydroxy-pyridin-2-yl-quinolin-2-ylmethyl)-1,3-dihydrobenzimidazol-2-one;ethanol?

The canonical SMILES for [6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-ethoxy-1H-benzimidazol-4-yl]-pyridin-2-yl-quinolin-2-ylmethanol;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(hydroxy-pyridin-2-yl-quinolin-2-ylmethyl)-1,3-dihydrobenzimidazol-2-one;ethanol is CCO.CCOc1nc2c(C(O)(c3ccccn3)c3ccc4ccccc4n3)cc(-c3c(C)noc3C)cc2[nH]1.Cc1noc(C)c1-c1cc(C(O)(c2ccccn2)c2ccc3ccccc3n2)c2[nH]c(=O)[nH]c2c1.

What is the InChIKey of [6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-ethoxy-1H-benzimidazol-4-yl]-pyridin-2-yl-quinolin-2-ylmethanol;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(hydroxy-pyridin-2-yl-quinolin-2-ylmethyl)-1,3-dihydrobenzimidazol-2-one;ethanol?

The InChIKey is QUTWWBKXLZRUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N5O3.C27H21N5O3.C2H6O/c1-4-36-28-32-23-16-20(26-17(2)34-37-18(26)3)15-21(27(23)33-28)29(35,24-11-7-8-14-30-24)25-13-12-19-9-5-6-10-22(19)31-25;1-15-24(16(2)35-32-15)18-13-19(25-21(14-18)30-26(33)31-25)27(34,22-9-5-6-12-28-22)23-11-10-17-7-3-4-8-20(17)29-23;1-2-3/h5-16,35H,4H2,1-3H3,(H,32,33);3-14,34H,1-2H3,(H2,30,31,33);3H,2H2,1H3.

What are the key properties of [6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-ethoxy-1H-benzimidazol-4-yl]-pyridin-2-yl-quinolin-2-ylmethanol;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(hydroxy-pyridin-2-yl-quinolin-2-ylmethyl)-1,3-dihydrobenzimidazol-2-one;ethanol?

[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-ethoxy-1H-benzimidazol-4-yl]-pyridin-2-yl-quinolin-2-ylmethanol;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(hydroxy-pyridin-2-yl-quinolin-2-ylmethyl)-1,3-dihydrobenzimidazol-2-one;ethanol has a molecular weight of 1001.12 g/mol, XLogP of 9.81, 10 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for [6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-ethoxy-1H-benzimidazol-4-yl]-pyridin-2-yl-quinolin-2-ylmethanol;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(hydroxy-pyridin-2-yl-quinolin-2-ylmethyl)-1,3-dihydrobenzimidazol-2-one;ethanol is sourced from PubChem (CID 160525067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).