1-[2-(4-phenylmethoxyphenoxy)ethyl]imidazole

C18H18N2O2 — CID 803224

IUPAC1-[2-(4-phenylmethoxyphenoxy)ethyl]imidazole
SMILESc1ccc(COc2ccc(OCCn3ccnc3)cc2)cc1
InChIInChI=1S/C18H18N2O2/c1-2-4-16(5-3-1)14-22-18-8-6-17(7-9-18)21-13-12-20-11-10-19-15-20/h1-11,15H,12-14H2
InChIKeyBFYZRUOHTKHDMN-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.54
Rot. Bonds7

About 1-[2-(4-phenylmethoxyphenoxy)ethyl]imidazole

1-[2-(4-phenylmethoxyphenoxy)ethyl]imidazole (PubChem CID 803224) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-[2-(4-phenylmethoxyphenoxy)ethyl]imidazole.

Molecular Properties

Compound Name1-[2-(4-phenylmethoxyphenoxy)ethyl]imidazole
PubChem CID803224
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name1-[2-(4-phenylmethoxyphenoxy)ethyl]imidazole
SMILESc1ccc(COc2ccc(OCCn3ccnc3)cc2)cc1
InChIInChI=1S/C18H18N2O2/c1-2-4-16(5-3-1)14-22-18-8-6-17(7-9-18)21-13-12-20-11-10-19-15-20/h1-11,15H,12-14H2
InChIKeyBFYZRUOHTKHDMN-UHFFFAOYSA-N
XLogP3.54
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-phenylmethoxyphenoxy)ethyl]imidazole?
The IUPAC name of 1-[2-(4-phenylmethoxyphenoxy)ethyl]imidazole (CID 803224) is 1-[2-(4-phenylmethoxyphenoxy)ethyl]imidazole.
What is the SMILES notation for 1-[2-(4-phenylmethoxyphenoxy)ethyl]imidazole?
The canonical SMILES for 1-[2-(4-phenylmethoxyphenoxy)ethyl]imidazole is c1ccc(COc2ccc(OCCn3ccnc3)cc2)cc1.
What is the InChIKey of 1-[2-(4-phenylmethoxyphenoxy)ethyl]imidazole?
The InChIKey is BFYZRUOHTKHDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-2-4-16(5-3-1)14-22-18-8-6-17(7-9-18)21-13-12-20-11-10-19-15-20/h1-11,15H,12-14H2.
What are the key properties of 1-[2-(4-phenylmethoxyphenoxy)ethyl]imidazole?
1-[2-(4-phenylmethoxyphenoxy)ethyl]imidazole has a molecular weight of 294.35 g/mol, XLogP of 3.54, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-phenylmethoxyphenoxy)ethyl]imidazole is sourced from PubChem (CID 803224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).