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

C20H18N4O2 — CID 100927766

IUPAC3-(1H-imidazol-2-ylmethyl)-4-[3-(1H-imidazol-2-ylmethyl)phenoxy]phenol
SMILESOc1ccc(Oc2cccc(Cc3ncc[nH]3)c2)c(Cc2ncc[nH]2)c1
InChIInChI=1S/C20H18N4O2/c25-16-4-5-18(15(12-16)13-20-23-8-9-24-20)26-17-3-1-2-14(10-17)11-19-21-6-7-22-19/h1-10,12,25H,11,13H2,(H,21,22)(H,23,24)
InChIKeyKDBJPLXCURQBOE-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.81
Rot. Bonds6

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

3-(1H-imidazol-2-ylmethyl)-4-[3-(1H-imidazol-2-ylmethyl)phenoxy]phenol (PubChem CID 100927766) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 3-(1H-imidazol-2-ylmethyl)-4-[3-(1H-imidazol-2-ylmethyl)phenoxy]phenol.

Molecular Properties

Compound Name3-(1H-imidazol-2-ylmethyl)-4-[3-(1H-imidazol-2-ylmethyl)phenoxy]phenol
PubChem CID100927766
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name3-(1H-imidazol-2-ylmethyl)-4-[3-(1H-imidazol-2-ylmethyl)phenoxy]phenol
SMILESOc1ccc(Oc2cccc(Cc3ncc[nH]3)c2)c(Cc2ncc[nH]2)c1
InChIInChI=1S/C20H18N4O2/c25-16-4-5-18(15(12-16)13-20-23-8-9-24-20)26-17-3-1-2-14(10-17)11-19-21-6-7-22-19/h1-10,12,25H,11,13H2,(H,21,22)(H,23,24)
InChIKeyKDBJPLXCURQBOE-UHFFFAOYSA-N
XLogP3.81
TPSA86.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-2-ylmethyl)-4-[3-(1H-imidazol-2-ylmethyl)phenoxy]phenol?
The IUPAC name of 3-(1H-imidazol-2-ylmethyl)-4-[3-(1H-imidazol-2-ylmethyl)phenoxy]phenol (CID 100927766) is 3-(1H-imidazol-2-ylmethyl)-4-[3-(1H-imidazol-2-ylmethyl)phenoxy]phenol.
What is the SMILES notation for 3-(1H-imidazol-2-ylmethyl)-4-[3-(1H-imidazol-2-ylmethyl)phenoxy]phenol?
The canonical SMILES for 3-(1H-imidazol-2-ylmethyl)-4-[3-(1H-imidazol-2-ylmethyl)phenoxy]phenol is Oc1ccc(Oc2cccc(Cc3ncc[nH]3)c2)c(Cc2ncc[nH]2)c1.
What is the InChIKey of 3-(1H-imidazol-2-ylmethyl)-4-[3-(1H-imidazol-2-ylmethyl)phenoxy]phenol?
The InChIKey is KDBJPLXCURQBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c25-16-4-5-18(15(12-16)13-20-23-8-9-24-20)26-17-3-1-2-14(10-17)11-19-21-6-7-22-19/h1-10,12,25H,11,13H2,(H,21,22)(H,23,24).
What are the key properties of 3-(1H-imidazol-2-ylmethyl)-4-[3-(1H-imidazol-2-ylmethyl)phenoxy]phenol?
3-(1H-imidazol-2-ylmethyl)-4-[3-(1H-imidazol-2-ylmethyl)phenoxy]phenol has a molecular weight of 346.39 g/mol, XLogP of 3.81, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-2-ylmethyl)-4-[3-(1H-imidazol-2-ylmethyl)phenoxy]phenol is sourced from PubChem (CID 100927766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).