2-[4-hydroxy-2-(1H-imidazol-2-ylmethyl)phenyl]-4-(1H-imidazol-2-ylmethyl)phenol

C20H18N4O2 — CID 100927768

IUPAC2-[4-hydroxy-2-(1H-imidazol-2-ylmethyl)phenyl]-4-(1H-imidazol-2-ylmethyl)phenol
SMILESOc1ccc(-c2cc(Cc3ncc[nH]3)ccc2O)c(Cc2ncc[nH]2)c1
InChIInChI=1S/C20H18N4O2/c25-15-2-3-16(14(11-15)12-20-23-7-8-24-20)17-9-13(1-4-18(17)26)10-19-21-5-6-22-19/h1-9,11,25-26H,10,12H2,(H,21,22)(H,23,24)
InChIKeyXQANLWORMFUCPG-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.39
Rot. Bonds5

About 2-[4-hydroxy-2-(1H-imidazol-2-ylmethyl)phenyl]-4-(1H-imidazol-2-ylmethyl)phenol

2-[4-hydroxy-2-(1H-imidazol-2-ylmethyl)phenyl]-4-(1H-imidazol-2-ylmethyl)phenol (PubChem CID 100927768) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-[4-hydroxy-2-(1H-imidazol-2-ylmethyl)phenyl]-4-(1H-imidazol-2-ylmethyl)phenol.

Molecular Properties

Compound Name2-[4-hydroxy-2-(1H-imidazol-2-ylmethyl)phenyl]-4-(1H-imidazol-2-ylmethyl)phenol
PubChem CID100927768
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name2-[4-hydroxy-2-(1H-imidazol-2-ylmethyl)phenyl]-4-(1H-imidazol-2-ylmethyl)phenol
SMILESOc1ccc(-c2cc(Cc3ncc[nH]3)ccc2O)c(Cc2ncc[nH]2)c1
InChIInChI=1S/C20H18N4O2/c25-15-2-3-16(14(11-15)12-20-23-7-8-24-20)17-9-13(1-4-18(17)26)10-19-21-5-6-22-19/h1-9,11,25-26H,10,12H2,(H,21,22)(H,23,24)
InChIKeyXQANLWORMFUCPG-UHFFFAOYSA-N
XLogP3.39
TPSA97.82 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-hydroxy-2-(1H-imidazol-2-ylmethyl)phenyl]-4-(1H-imidazol-2-ylmethyl)phenol?
The IUPAC name of 2-[4-hydroxy-2-(1H-imidazol-2-ylmethyl)phenyl]-4-(1H-imidazol-2-ylmethyl)phenol (CID 100927768) is 2-[4-hydroxy-2-(1H-imidazol-2-ylmethyl)phenyl]-4-(1H-imidazol-2-ylmethyl)phenol.
What is the SMILES notation for 2-[4-hydroxy-2-(1H-imidazol-2-ylmethyl)phenyl]-4-(1H-imidazol-2-ylmethyl)phenol?
The canonical SMILES for 2-[4-hydroxy-2-(1H-imidazol-2-ylmethyl)phenyl]-4-(1H-imidazol-2-ylmethyl)phenol is Oc1ccc(-c2cc(Cc3ncc[nH]3)ccc2O)c(Cc2ncc[nH]2)c1.
What is the InChIKey of 2-[4-hydroxy-2-(1H-imidazol-2-ylmethyl)phenyl]-4-(1H-imidazol-2-ylmethyl)phenol?
The InChIKey is XQANLWORMFUCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c25-15-2-3-16(14(11-15)12-20-23-7-8-24-20)17-9-13(1-4-18(17)26)10-19-21-5-6-22-19/h1-9,11,25-26H,10,12H2,(H,21,22)(H,23,24).
What are the key properties of 2-[4-hydroxy-2-(1H-imidazol-2-ylmethyl)phenyl]-4-(1H-imidazol-2-ylmethyl)phenol?
2-[4-hydroxy-2-(1H-imidazol-2-ylmethyl)phenyl]-4-(1H-imidazol-2-ylmethyl)phenol has a molecular weight of 346.39 g/mol, XLogP of 3.39, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-hydroxy-2-(1H-imidazol-2-ylmethyl)phenyl]-4-(1H-imidazol-2-ylmethyl)phenol is sourced from PubChem (CID 100927768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).