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

C19H20N2O — CID 4998739

IUPAC1-[4-(2-phenylphenoxy)butyl]imidazole
SMILESc1ccc(-c2ccccc2OCCCCn2ccnc2)cc1
InChIInChI=1S/C19H20N2O/c1-2-8-17(9-3-1)18-10-4-5-11-19(18)22-15-7-6-13-21-14-12-20-16-21/h1-5,8-12,14,16H,6-7,13,15H2
InChIKeyKJDFTTWSEUTAKR-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.41
Rot. Bonds7

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

1-[4-(2-phenylphenoxy)butyl]imidazole (PubChem CID 4998739) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-[4-(2-phenylphenoxy)butyl]imidazole.

Molecular Properties

Compound Name1-[4-(2-phenylphenoxy)butyl]imidazole
PubChem CID4998739
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name1-[4-(2-phenylphenoxy)butyl]imidazole
SMILESc1ccc(-c2ccccc2OCCCCn2ccnc2)cc1
InChIInChI=1S/C19H20N2O/c1-2-8-17(9-3-1)18-10-4-5-11-19(18)22-15-7-6-13-21-14-12-20-16-21/h1-5,8-12,14,16H,6-7,13,15H2
InChIKeyKJDFTTWSEUTAKR-UHFFFAOYSA-N
XLogP4.41
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(2-phenylmethoxyphenoxy)butyl]imidazole
CID 2995500
oxalic acid;1-[4-(2-prop-2-enylphenoxy)butyl]imidazole
CID 2923042
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-(2-phenylphenoxy)propanamide
CID 47027170
1-[6-[4-(2-phenylethynyl)phenoxy]hexyl]imidazole
CID 101469157
1-[4-(4-fluorophenoxy)butyl]imidazole
CID 31196577
2-(3-imidazol-1-ylpropoxy)benzaldehyde;hydrochloride
CID 75531575
1-[5-(4-fluorophenoxy)pentyl]imidazole
CID 2851826
(2R)-2-imidazol-1-yl-N-[2-(2-phenylphenoxy)ethyl]propanamide
CID 94817504
1-(4-phenylsulfanylbutyl)imidazole
CID 58580494
1-[6-(2,4-difluorophenoxy)hexyl]imidazole;hydrochloride
CID 19378837
1-(8-phenyloctyl)imidazole
CID 102394184
1-[4-(4-chlorophenoxy)butyl]imidazole
CID 2843495

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-phenylphenoxy)butyl]imidazole?
The IUPAC name of 1-[4-(2-phenylphenoxy)butyl]imidazole (CID 4998739) is 1-[4-(2-phenylphenoxy)butyl]imidazole.
What is the SMILES notation for 1-[4-(2-phenylphenoxy)butyl]imidazole?
The canonical SMILES for 1-[4-(2-phenylphenoxy)butyl]imidazole is c1ccc(-c2ccccc2OCCCCn2ccnc2)cc1.
What is the InChIKey of 1-[4-(2-phenylphenoxy)butyl]imidazole?
The InChIKey is KJDFTTWSEUTAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-2-8-17(9-3-1)18-10-4-5-11-19(18)22-15-7-6-13-21-14-12-20-16-21/h1-5,8-12,14,16H,6-7,13,15H2.
What are the key properties of 1-[4-(2-phenylphenoxy)butyl]imidazole?
1-[4-(2-phenylphenoxy)butyl]imidazole has a molecular weight of 292.38 g/mol, XLogP of 4.41, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-phenylphenoxy)butyl]imidazole is sourced from PubChem (CID 4998739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).