2-[3-hydroxy-5-(1H-imidazol-2-ylmethyl)phenoxy]-4-(1H-imidazol-2-ylmethyl)phenol

C20H18N4O3 — CID 163068017

IUPAC2-[3-hydroxy-5-(1H-imidazol-2-ylmethyl)phenoxy]-4-(1H-imidazol-2-ylmethyl)phenol
SMILESOc1cc(Cc2ncc[nH]2)cc(Oc2cc(Cc3ncc[nH]3)ccc2O)c1
InChIInChI=1S/C20H18N4O3/c25-15-7-14(11-20-23-5-6-24-20)8-16(12-15)27-18-9-13(1-2-17(18)26)10-19-21-3-4-22-19/h1-9,12,25-26H,10-11H2,(H,21,22)(H,23,24)
InChIKeyQOJGTWLFQCAXLE-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.52
Rot. Bonds6

About 2-[3-hydroxy-5-(1H-imidazol-2-ylmethyl)phenoxy]-4-(1H-imidazol-2-ylmethyl)phenol

2-[3-hydroxy-5-(1H-imidazol-2-ylmethyl)phenoxy]-4-(1H-imidazol-2-ylmethyl)phenol (PubChem CID 163068017) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is 2-[3-hydroxy-5-(1H-imidazol-2-ylmethyl)phenoxy]-4-(1H-imidazol-2-ylmethyl)phenol.

Molecular Properties

Compound Name2-[3-hydroxy-5-(1H-imidazol-2-ylmethyl)phenoxy]-4-(1H-imidazol-2-ylmethyl)phenol
PubChem CID163068017
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC Name2-[3-hydroxy-5-(1H-imidazol-2-ylmethyl)phenoxy]-4-(1H-imidazol-2-ylmethyl)phenol
SMILESOc1cc(Cc2ncc[nH]2)cc(Oc2cc(Cc3ncc[nH]3)ccc2O)c1
InChIInChI=1S/C20H18N4O3/c25-15-7-14(11-20-23-5-6-24-20)8-16(12-15)27-18-9-13(1-2-17(18)26)10-19-21-3-4-22-19/h1-9,12,25-26H,10-11H2,(H,21,22)(H,23,24)
InChIKeyQOJGTWLFQCAXLE-UHFFFAOYSA-N
XLogP3.52
TPSA107.05 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-hydroxy-5-(1H-imidazol-2-ylmethyl)phenoxy]-4-(1H-imidazol-2-ylmethyl)phenol?
The IUPAC name of 2-[3-hydroxy-5-(1H-imidazol-2-ylmethyl)phenoxy]-4-(1H-imidazol-2-ylmethyl)phenol (CID 163068017) is 2-[3-hydroxy-5-(1H-imidazol-2-ylmethyl)phenoxy]-4-(1H-imidazol-2-ylmethyl)phenol.
What is the SMILES notation for 2-[3-hydroxy-5-(1H-imidazol-2-ylmethyl)phenoxy]-4-(1H-imidazol-2-ylmethyl)phenol?
The canonical SMILES for 2-[3-hydroxy-5-(1H-imidazol-2-ylmethyl)phenoxy]-4-(1H-imidazol-2-ylmethyl)phenol is Oc1cc(Cc2ncc[nH]2)cc(Oc2cc(Cc3ncc[nH]3)ccc2O)c1.
What is the InChIKey of 2-[3-hydroxy-5-(1H-imidazol-2-ylmethyl)phenoxy]-4-(1H-imidazol-2-ylmethyl)phenol?
The InChIKey is QOJGTWLFQCAXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c25-15-7-14(11-20-23-5-6-24-20)8-16(12-15)27-18-9-13(1-2-17(18)26)10-19-21-3-4-22-19/h1-9,12,25-26H,10-11H2,(H,21,22)(H,23,24).
What are the key properties of 2-[3-hydroxy-5-(1H-imidazol-2-ylmethyl)phenoxy]-4-(1H-imidazol-2-ylmethyl)phenol?
2-[3-hydroxy-5-(1H-imidazol-2-ylmethyl)phenoxy]-4-(1H-imidazol-2-ylmethyl)phenol has a molecular weight of 362.39 g/mol, XLogP of 3.52, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-hydroxy-5-(1H-imidazol-2-ylmethyl)phenoxy]-4-(1H-imidazol-2-ylmethyl)phenol is sourced from PubChem (CID 163068017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).