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

C20H22N2O2 — CID 2995500

IUPAC1-[4-(2-phenylmethoxyphenoxy)butyl]imidazole
SMILESc1ccc(COc2ccccc2OCCCCn2ccnc2)cc1
InChIInChI=1S/C20H22N2O2/c1-2-8-18(9-3-1)16-24-20-11-5-4-10-19(20)23-15-7-6-13-22-14-12-21-17-22/h1-5,8-12,14,17H,6-7,13,15-16H2
InChIKeyJIMMJPWAWFTGDZ-UHFFFAOYSA-N
MW322.41 g/mol
LogP4.32
Rot. Bonds9

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

1-[4-(2-phenylmethoxyphenoxy)butyl]imidazole (PubChem CID 2995500) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-[4-(2-phenylmethoxyphenoxy)butyl]imidazole.

Molecular Properties

Compound Name1-[4-(2-phenylmethoxyphenoxy)butyl]imidazole
PubChem CID2995500
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name1-[4-(2-phenylmethoxyphenoxy)butyl]imidazole
SMILESc1ccc(COc2ccccc2OCCCCn2ccnc2)cc1
InChIInChI=1S/C20H22N2O2/c1-2-8-18(9-3-1)16-24-20-11-5-4-10-19(20)23-15-7-6-13-22-14-12-21-17-22/h1-5,8-12,14,17H,6-7,13,15-16H2
InChIKeyJIMMJPWAWFTGDZ-UHFFFAOYSA-N
XLogP4.32
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-(2-phenylphenoxy)butyl]imidazole
CID 4998739
1-[(2-phenylmethoxyphenyl)methyl]imidazole
CID 12903383
1-(8-phenyloctyl)imidazole
CID 102394184
oxalic acid;1-[4-(2-prop-2-enylphenoxy)butyl]imidazole
CID 2923042
1-[6-[4-(2-phenylethynyl)phenoxy]hexyl]imidazole
CID 101469157
N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-imidazol-1-ylpropan-1-amine
CID 17155361
benzyl 2-amino-5-imidazol-1-ylpentanoate
CID 57035168
1-[4-(4-fluorophenoxy)butyl]imidazole
CID 31196577
2-(3-imidazol-1-ylpropoxy)benzaldehyde;hydrochloride
CID 75531575
benzyl 3-imidazol-1-ylpropanoate
CID 4800438
1-[5-(4-fluorophenoxy)pentyl]imidazole
CID 2851826
1-(4-phenylsulfanylbutyl)imidazole
CID 58580494

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-phenylmethoxyphenoxy)butyl]imidazole?
The IUPAC name of 1-[4-(2-phenylmethoxyphenoxy)butyl]imidazole (CID 2995500) is 1-[4-(2-phenylmethoxyphenoxy)butyl]imidazole.
What is the SMILES notation for 1-[4-(2-phenylmethoxyphenoxy)butyl]imidazole?
The canonical SMILES for 1-[4-(2-phenylmethoxyphenoxy)butyl]imidazole is c1ccc(COc2ccccc2OCCCCn2ccnc2)cc1.
What is the InChIKey of 1-[4-(2-phenylmethoxyphenoxy)butyl]imidazole?
The InChIKey is JIMMJPWAWFTGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-2-8-18(9-3-1)16-24-20-11-5-4-10-19(20)23-15-7-6-13-22-14-12-21-17-22/h1-5,8-12,14,17H,6-7,13,15-16H2.
What are the key properties of 1-[4-(2-phenylmethoxyphenoxy)butyl]imidazole?
1-[4-(2-phenylmethoxyphenoxy)butyl]imidazole has a molecular weight of 322.41 g/mol, XLogP of 4.32, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-phenylmethoxyphenoxy)butyl]imidazole is sourced from PubChem (CID 2995500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).