2-(1H-benzimidazol-2-yl)-5-(diethylamino)-3-methylphenol;2-(1H-benzimidazol-2-yl)-5-methylaniline;2-(1H-benzimidazol-2-yl)-5-methylphenol;2-(1,3-benzothiazol-2-yl)-5-methylphenol;2-(1,3-benzoxazol-2-yl)-5-methylphenol

C74H68N10O5S — CID 157081567

About 2-(1H-benzimidazol-2-yl)-5-(diethylamino)-3-methylphenol;2-(1H-benzimidazol-2-yl)-5-methylaniline;2-(1H-benzimidazol-2-yl)-5-methylphenol;2-(1,3-benzothiazol-2-yl)-5-methylphenol;2-(1,3-benzoxazol-2-yl)-5-methylphenol

2-(1H-benzimidazol-2-yl)-5-(diethylamino)-3-methylphenol;2-(1H-benzimidazol-2-yl)-5-methylaniline;2-(1H-benzimidazol-2-yl)-5-methylphenol;2-(1,3-benzothiazol-2-yl)-5-methylphenol;2-(1,3-benzoxazol-2-yl)-5-methylphenol (PubChem CID 157081567) has the molecular formula C74H68N10O5S and a molecular weight of 1209.49 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-5-(diethylamino)-3-methylphenol;2-(1H-benzimidazol-2-yl)-5-methylaniline;2-(1H-benzimidazol-2-yl)-5-methylphenol;2-(1,3-benzothiazol-2-yl)-5-methylphenol;2-(1,3-benzoxazol-2-yl)-5-methylphenol.

Molecular Properties

• Compound Name: 2-(1H-benzimidazol-2-yl)-5-(diethylamino)-3-methylphenol;2-(1H-benzimidazol-2-yl)-5-methylaniline;2-(1H-benzimidazol-2-yl)-5-methylphenol;2-(1,3-benzothiazol-2-yl)-5-methylphenol;2-(1,3-benzoxazol-2-yl)-5-methylphenol
• PubChem CID: 157081567
• Molecular Formula: C74H68N10O5S
• Molecular Weight: 1209.49 g/mol
• Exact Mass: 1208.51
• IUPAC Name: 2-(1H-benzimidazol-2-yl)-5-(diethylamino)-3-methylphenol;2-(1H-benzimidazol-2-yl)-5-methylaniline;2-(1H-benzimidazol-2-yl)-5-methylphenol;2-(1,3-benzothiazol-2-yl)-5-methylphenol;2-(1,3-benzoxazol-2-yl)-5-methylphenol
• SMILES: CCN(CC)c1cc(C)c(-c2nc3ccccc3[nH]2)c(O)c1.Cc1ccc(-c2nc3ccccc3[nH]2)c(N)c1.Cc1ccc(-c2nc3ccccc3[nH]2)c(O)c1.Cc1ccc(-c2nc3ccccc3o2)c(O)c1.Cc1ccc(-c2nc3ccccc3s2)c(O)c1
• InChI: InChI=1S/C18H21N3O.C14H13N3.C14H12N2O.C14H11NO2.C14H11NOS/c1-4-21(5-2)13-10-12(3)17(16(22)11-13)18-19-14-8-6-7-9-15(14)20-18;1-9-6-7-10(11(15)8-9)14-16-12-4-2-3-5-13(12)17-14;1-9-6-7-10(13(17)8-9)14-15-11-4-2-3-5-12(11)16-14;2*1-9-6-7-10(12(16)8-9)14-15-11-4-2-3-5-13(11)17-14/h6-11,22H,4-5H2,1-3H3,(H,19,20);2-8H,15H2,1H3,(H,16,17);2-8,17H,1H3,(H,15,16);2*2-8,16H,1H3
• InChIKey: ADPKFWRIVXVNIQ-UHFFFAOYSA-N
• XLogP: 17.94
• TPSA: 235.14 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 13
• Rotatable Bonds: 8
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1209.49
LogP ≤ 5	17.94
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-5-(diethylamino)-3-methylphenol;2-(1H-benzimidazol-2-yl)-5-methylaniline;2-(1H-benzimidazol-2-yl)-5-methylphenol;2-(1,3-benzothiazol-2-yl)-5-methylphenol;2-(1,3-benzoxazol-2-yl)-5-methylphenol?

The IUPAC name of 2-(1H-benzimidazol-2-yl)-5-(diethylamino)-3-methylphenol;2-(1H-benzimidazol-2-yl)-5-methylaniline;2-(1H-benzimidazol-2-yl)-5-methylphenol;2-(1,3-benzothiazol-2-yl)-5-methylphenol;2-(1,3-benzoxazol-2-yl)-5-methylphenol (CID 157081567) is 2-(1H-benzimidazol-2-yl)-5-(diethylamino)-3-methylphenol;2-(1H-benzimidazol-2-yl)-5-methylaniline;2-(1H-benzimidazol-2-yl)-5-methylphenol;2-(1,3-benzothiazol-2-yl)-5-methylphenol;2-(1,3-benzoxazol-2-yl)-5-methylphenol.

What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-5-(diethylamino)-3-methylphenol;2-(1H-benzimidazol-2-yl)-5-methylaniline;2-(1H-benzimidazol-2-yl)-5-methylphenol;2-(1,3-benzothiazol-2-yl)-5-methylphenol;2-(1,3-benzoxazol-2-yl)-5-methylphenol?

The canonical SMILES for 2-(1H-benzimidazol-2-yl)-5-(diethylamino)-3-methylphenol;2-(1H-benzimidazol-2-yl)-5-methylaniline;2-(1H-benzimidazol-2-yl)-5-methylphenol;2-(1,3-benzothiazol-2-yl)-5-methylphenol;2-(1,3-benzoxazol-2-yl)-5-methylphenol is CCN(CC)c1cc(C)c(-c2nc3ccccc3[nH]2)c(O)c1.Cc1ccc(-c2nc3ccccc3[nH]2)c(N)c1.Cc1ccc(-c2nc3ccccc3[nH]2)c(O)c1.Cc1ccc(-c2nc3ccccc3o2)c(O)c1.Cc1ccc(-c2nc3ccccc3s2)c(O)c1.

What is the InChIKey of 2-(1H-benzimidazol-2-yl)-5-(diethylamino)-3-methylphenol;2-(1H-benzimidazol-2-yl)-5-methylaniline;2-(1H-benzimidazol-2-yl)-5-methylphenol;2-(1,3-benzothiazol-2-yl)-5-methylphenol;2-(1,3-benzoxazol-2-yl)-5-methylphenol?

The InChIKey is ADPKFWRIVXVNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O.C14H13N3.C14H12N2O.C14H11NO2.C14H11NOS/c1-4-21(5-2)13-10-12(3)17(16(22)11-13)18-19-14-8-6-7-9-15(14)20-18;1-9-6-7-10(11(15)8-9)14-16-12-4-2-3-5-13(12)17-14;1-9-6-7-10(13(17)8-9)14-15-11-4-2-3-5-12(11)16-14;2*1-9-6-7-10(12(16)8-9)14-15-11-4-2-3-5-13(11)17-14/h6-11,22H,4-5H2,1-3H3,(H,19,20);2-8H,15H2,1H3,(H,16,17);2-8,17H,1H3,(H,15,16);2*2-8,16H,1H3.

What are the key properties of 2-(1H-benzimidazol-2-yl)-5-(diethylamino)-3-methylphenol;2-(1H-benzimidazol-2-yl)-5-methylaniline;2-(1H-benzimidazol-2-yl)-5-methylphenol;2-(1,3-benzothiazol-2-yl)-5-methylphenol;2-(1,3-benzoxazol-2-yl)-5-methylphenol?

2-(1H-benzimidazol-2-yl)-5-(diethylamino)-3-methylphenol;2-(1H-benzimidazol-2-yl)-5-methylaniline;2-(1H-benzimidazol-2-yl)-5-methylphenol;2-(1,3-benzothiazol-2-yl)-5-methylphenol;2-(1,3-benzoxazol-2-yl)-5-methylphenol has a molecular weight of 1209.49 g/mol, XLogP of 17.94, 8 rotatable bonds, 8 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1H-benzimidazol-2-yl)-5-(diethylamino)-3-methylphenol;2-(1H-benzimidazol-2-yl)-5-methylaniline;2-(1H-benzimidazol-2-yl)-5-methylphenol;2-(1,3-benzothiazol-2-yl)-5-methylphenol;2-(1,3-benzoxazol-2-yl)-5-methylphenol is sourced from PubChem (CID 157081567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).