1-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methyl]imidazole

C24H22N2O2 — CID 44530443

IUPAC1-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methyl]imidazole
SMILESc1ccc(COc2ccc(COc3ccc(Cn4ccnc4)cc3)cc2)cc1
InChIInChI=1S/C24H22N2O2/c1-2-4-21(5-3-1)17-27-24-12-8-22(9-13-24)18-28-23-10-6-20(7-11-23)16-26-15-14-25-19-26/h1-15,19H,16-18H2
InChIKeyXWVMAAGEKLYTRL-UHFFFAOYSA-N
MW370.45 g/mol
LogP5.09
Rot. Bonds8

About 1-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methyl]imidazole

1-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methyl]imidazole (PubChem CID 44530443) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is 1-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methyl]imidazole.

Molecular Properties

Compound Name1-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methyl]imidazole
PubChem CID44530443
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC Name1-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methyl]imidazole
SMILESc1ccc(COc2ccc(COc3ccc(Cn4ccnc4)cc3)cc2)cc1
InChIInChI=1S/C24H22N2O2/c1-2-4-21(5-3-1)17-27-24-12-8-22(9-13-24)18-28-23-10-6-20(7-11-23)16-26-15-14-25-19-26/h1-15,19H,16-18H2
InChIKeyXWVMAAGEKLYTRL-UHFFFAOYSA-N
XLogP5.09
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.45
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methyl]imidazole?
The IUPAC name of 1-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methyl]imidazole (CID 44530443) is 1-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methyl]imidazole.
What is the SMILES notation for 1-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methyl]imidazole?
The canonical SMILES for 1-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methyl]imidazole is c1ccc(COc2ccc(COc3ccc(Cn4ccnc4)cc3)cc2)cc1.
What is the InChIKey of 1-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methyl]imidazole?
The InChIKey is XWVMAAGEKLYTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2/c1-2-4-21(5-3-1)17-27-24-12-8-22(9-13-24)18-28-23-10-6-20(7-11-23)16-26-15-14-25-19-26/h1-15,19H,16-18H2.
What are the key properties of 1-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methyl]imidazole?
1-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methyl]imidazole has a molecular weight of 370.45 g/mol, XLogP of 5.09, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methyl]imidazole is sourced from PubChem (CID 44530443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).