5-(diethylamino)-2-(6-phenoxy-1H-benzimidazol-2-yl)phenol

C23H23N3O2 — CID 169273680

IUPAC5-(diethylamino)-2-(6-phenoxy-1H-benzimidazol-2-yl)phenol
SMILESCCN(CC)c1ccc(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)c(O)c1
InChIInChI=1S/C23H23N3O2/c1-3-26(4-2)16-10-12-19(22(27)14-16)23-24-20-13-11-18(15-21(20)25-23)28-17-8-6-5-7-9-17/h5-15,27H,3-4H2,1-2H3,(H,24,25)
InChIKeyBUTIWRRQAMRYHX-UHFFFAOYSA-N
MW373.46 g/mol
LogP5.57
Rot. Bonds6

About 5-(diethylamino)-2-(6-phenoxy-1H-benzimidazol-2-yl)phenol

5-(diethylamino)-2-(6-phenoxy-1H-benzimidazol-2-yl)phenol (PubChem CID 169273680) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 5-(diethylamino)-2-(6-phenoxy-1H-benzimidazol-2-yl)phenol.

Molecular Properties

Compound Name5-(diethylamino)-2-(6-phenoxy-1H-benzimidazol-2-yl)phenol
PubChem CID169273680
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name5-(diethylamino)-2-(6-phenoxy-1H-benzimidazol-2-yl)phenol
SMILESCCN(CC)c1ccc(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)c(O)c1
InChIInChI=1S/C23H23N3O2/c1-3-26(4-2)16-10-12-19(22(27)14-16)23-24-20-13-11-18(15-21(20)25-23)28-17-8-6-5-7-9-17/h5-15,27H,3-4H2,1-2H3,(H,24,25)
InChIKeyBUTIWRRQAMRYHX-UHFFFAOYSA-N
XLogP5.57
TPSA61.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.46
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(diethylamino)-2-(6-phenoxy-1H-benzimidazol-2-yl)phenol?
The IUPAC name of 5-(diethylamino)-2-(6-phenoxy-1H-benzimidazol-2-yl)phenol (CID 169273680) is 5-(diethylamino)-2-(6-phenoxy-1H-benzimidazol-2-yl)phenol.
What is the SMILES notation for 5-(diethylamino)-2-(6-phenoxy-1H-benzimidazol-2-yl)phenol?
The canonical SMILES for 5-(diethylamino)-2-(6-phenoxy-1H-benzimidazol-2-yl)phenol is CCN(CC)c1ccc(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)c(O)c1.
What is the InChIKey of 5-(diethylamino)-2-(6-phenoxy-1H-benzimidazol-2-yl)phenol?
The InChIKey is BUTIWRRQAMRYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-3-26(4-2)16-10-12-19(22(27)14-16)23-24-20-13-11-18(15-21(20)25-23)28-17-8-6-5-7-9-17/h5-15,27H,3-4H2,1-2H3,(H,24,25).
What are the key properties of 5-(diethylamino)-2-(6-phenoxy-1H-benzimidazol-2-yl)phenol?
5-(diethylamino)-2-(6-phenoxy-1H-benzimidazol-2-yl)phenol has a molecular weight of 373.46 g/mol, XLogP of 5.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-2-(6-phenoxy-1H-benzimidazol-2-yl)phenol is sourced from PubChem (CID 169273680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).