1-[3-[4-[(E)-2-phenylethenyl]phenoxy]propyl]imidazole

C20H20N2O — CID 67859856

IUPAC1-[3-[4-[(E)-2-phenylethenyl]phenoxy]propyl]imidazole
SMILESC(=C/c1ccc(OCCCn2ccnc2)cc1)\c1ccccc1
InChIInChI=1S/C20H20N2O/c1-2-5-18(6-3-1)7-8-19-9-11-20(12-10-19)23-16-4-14-22-15-13-21-17-22/h1-3,5-13,15,17H,4,14,16H2/b8-7+
InChIKeyXNTCFFHZDPSHCA-BQYQJAHWSA-N
MW304.39 g/mol
LogP4.52
Rot. Bonds7

About 1-[3-[4-[(E)-2-phenylethenyl]phenoxy]propyl]imidazole

1-[3-[4-[(E)-2-phenylethenyl]phenoxy]propyl]imidazole (PubChem CID 67859856) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-[3-[4-[(E)-2-phenylethenyl]phenoxy]propyl]imidazole.

Molecular Properties

Compound Name1-[3-[4-[(E)-2-phenylethenyl]phenoxy]propyl]imidazole
PubChem CID67859856
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC Name1-[3-[4-[(E)-2-phenylethenyl]phenoxy]propyl]imidazole
SMILESC(=C/c1ccc(OCCCn2ccnc2)cc1)\c1ccccc1
InChIInChI=1S/C20H20N2O/c1-2-5-18(6-3-1)7-8-19-9-11-20(12-10-19)23-16-4-14-22-15-13-21-17-22/h1-3,5-13,15,17H,4,14,16H2/b8-7+
InChIKeyXNTCFFHZDPSHCA-BQYQJAHWSA-N
XLogP4.52
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(3-imidazol-1-ylpropoxy)phenyl]methylideneamino]aniline
CID 169383035
1-[6-[4-(2-phenylethynyl)phenoxy]hexyl]imidazole
CID 101469157
4-[(E)-2-[4-(3-imidazol-1-ylpropoxy)phenyl]ethenyl]-2-thiophen-2-yl-1,3-oxazole
CID 139970353
1-[4-(4-chlorophenoxy)butyl]imidazole
CID 2843495
1-[4-(4-fluorophenoxy)butyl]imidazole
CID 31196577
2-[4-(3-imidazol-1-ylpropoxy)phenyl]ethanol
CID 104601036
[[4-(3-imidazol-1-ylpropoxy)phenyl]methylideneamino]thiourea
CID 168535452
1-[5-(4-fluorophenoxy)pentyl]imidazole
CID 2851826
1-[4-(3-imidazol-1-ylpropoxy)phenyl]ethanol
CID 54961343
3-(3-imidazol-1-ylpropoxy)phenol
CID 61492833
2-(3-imidazol-1-ylpropoxy)benzaldehyde;hydrochloride
CID 75531575
1-[3-[4-(azetidin-1-ylmethyl)phenoxy]propyl]imidazole
CID 77085814

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[(E)-2-phenylethenyl]phenoxy]propyl]imidazole?
The IUPAC name of 1-[3-[4-[(E)-2-phenylethenyl]phenoxy]propyl]imidazole (CID 67859856) is 1-[3-[4-[(E)-2-phenylethenyl]phenoxy]propyl]imidazole.
What is the SMILES notation for 1-[3-[4-[(E)-2-phenylethenyl]phenoxy]propyl]imidazole?
The canonical SMILES for 1-[3-[4-[(E)-2-phenylethenyl]phenoxy]propyl]imidazole is C(=C/c1ccc(OCCCn2ccnc2)cc1)\c1ccccc1.
What is the InChIKey of 1-[3-[4-[(E)-2-phenylethenyl]phenoxy]propyl]imidazole?
The InChIKey is XNTCFFHZDPSHCA-BQYQJAHWSA-N. The full InChI is InChI=1S/C20H20N2O/c1-2-5-18(6-3-1)7-8-19-9-11-20(12-10-19)23-16-4-14-22-15-13-21-17-22/h1-3,5-13,15,17H,4,14,16H2/b8-7+.
What are the key properties of 1-[3-[4-[(E)-2-phenylethenyl]phenoxy]propyl]imidazole?
1-[3-[4-[(E)-2-phenylethenyl]phenoxy]propyl]imidazole has a molecular weight of 304.39 g/mol, XLogP of 4.52, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[(E)-2-phenylethenyl]phenoxy]propyl]imidazole is sourced from PubChem (CID 67859856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).