2-(phenoxymethyl)-5-[4-(4-phenylmethoxyphenoxy)phenyl]-1H-imidazole

C29H24N2O3 — CID 11487705

IUPAC2-(phenoxymethyl)-5-[4-(4-phenylmethoxyphenoxy)phenyl]-1H-imidazole
SMILESc1ccc(COc2ccc(Oc3ccc(-c4cnc(COc5ccccc5)[nH]4)cc3)cc2)cc1
InChIInChI=1S/C29H24N2O3/c1-3-7-22(8-4-1)20-32-25-15-17-27(18-16-25)34-26-13-11-23(12-14-26)28-19-30-29(31-28)21-33-24-9-5-2-6-10-24/h1-19H,20-21H2,(H,30,31)
InChIKeyJUUBYBGVTHIFFQ-UHFFFAOYSA-N
MW448.52 g/mol
LogP7.03
Rot. Bonds9

About 2-(phenoxymethyl)-5-[4-(4-phenylmethoxyphenoxy)phenyl]-1H-imidazole

2-(phenoxymethyl)-5-[4-(4-phenylmethoxyphenoxy)phenyl]-1H-imidazole (PubChem CID 11487705) has the molecular formula C29H24N2O3 and a molecular weight of 448.52 g/mol. Its IUPAC name is 2-(phenoxymethyl)-5-[4-(4-phenylmethoxyphenoxy)phenyl]-1H-imidazole.

Molecular Properties

Compound Name2-(phenoxymethyl)-5-[4-(4-phenylmethoxyphenoxy)phenyl]-1H-imidazole
PubChem CID11487705
Molecular FormulaC29H24N2O3
Molecular Weight448.52 g/mol
Exact Mass448.18
IUPAC Name2-(phenoxymethyl)-5-[4-(4-phenylmethoxyphenoxy)phenyl]-1H-imidazole
SMILESc1ccc(COc2ccc(Oc3ccc(-c4cnc(COc5ccccc5)[nH]4)cc3)cc2)cc1
InChIInChI=1S/C29H24N2O3/c1-3-7-22(8-4-1)20-32-25-15-17-27(18-16-25)34-26-13-11-23(12-14-26)28-19-30-29(31-28)21-33-24-9-5-2-6-10-24/h1-19H,20-21H2,(H,30,31)
InChIKeyJUUBYBGVTHIFFQ-UHFFFAOYSA-N
XLogP7.03
TPSA56.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.52
LogP ≤ 57.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-3-[4-[4-[2-(phenoxymethyl)-1H-imidazol-5-yl]phenoxy]phenyl]thiourea
CID 23654131
5-[4-(3-fluoro-4-isothiocyanatophenoxy)phenyl]-2-(phenoxymethyl)-1H-imidazole
CID 86761573
4-[2-[4-[2-(phenoxymethyl)-1H-imidazol-5-yl]phenoxy]ethyl]benzoic acid
CID 69142534
5-(4-phenoxyphenyl)-2-[4-[5-(4-phenoxyphenyl)-1H-imidazol-2-yl]phenyl]-1H-imidazole
CID 102431861
3-[2-(4-phenylmethoxyphenyl)-1H-imidazol-5-yl]pyridine
CID 141253849
5-(4-phenoxyphenyl)-1H-imidazol-2-amine
CID 82297784
2-benzyl-5-(4-phenylmethoxyphenyl)pyrimidine
CID 174577128
5-(4-phenylmethoxyphenyl)-1H-pyrazol-3-amine
CID 3707491
1-chloro-4-[(4-phenoxyphenoxy)methyl]benzene
CID 54171722
[4-(4-phenylmethoxyphenoxy)phenyl]methanamine
CID 139985270
[5-(4-phenylphenyl)-1H-imidazol-2-yl]methanethiol
CID 116879175
1-bromo-3-(4-phenylmethoxyphenoxy)benzene
CID 44818238

Frequently Asked Questions

What is the IUPAC name of 2-(phenoxymethyl)-5-[4-(4-phenylmethoxyphenoxy)phenyl]-1H-imidazole?
The IUPAC name of 2-(phenoxymethyl)-5-[4-(4-phenylmethoxyphenoxy)phenyl]-1H-imidazole (CID 11487705) is 2-(phenoxymethyl)-5-[4-(4-phenylmethoxyphenoxy)phenyl]-1H-imidazole.
What is the SMILES notation for 2-(phenoxymethyl)-5-[4-(4-phenylmethoxyphenoxy)phenyl]-1H-imidazole?
The canonical SMILES for 2-(phenoxymethyl)-5-[4-(4-phenylmethoxyphenoxy)phenyl]-1H-imidazole is c1ccc(COc2ccc(Oc3ccc(-c4cnc(COc5ccccc5)[nH]4)cc3)cc2)cc1.
What is the InChIKey of 2-(phenoxymethyl)-5-[4-(4-phenylmethoxyphenoxy)phenyl]-1H-imidazole?
The InChIKey is JUUBYBGVTHIFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N2O3/c1-3-7-22(8-4-1)20-32-25-15-17-27(18-16-25)34-26-13-11-23(12-14-26)28-19-30-29(31-28)21-33-24-9-5-2-6-10-24/h1-19H,20-21H2,(H,30,31).
What are the key properties of 2-(phenoxymethyl)-5-[4-(4-phenylmethoxyphenoxy)phenyl]-1H-imidazole?
2-(phenoxymethyl)-5-[4-(4-phenylmethoxyphenoxy)phenyl]-1H-imidazole has a molecular weight of 448.52 g/mol, XLogP of 7.03, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenoxymethyl)-5-[4-(4-phenylmethoxyphenoxy)phenyl]-1H-imidazole is sourced from PubChem (CID 11487705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).