1-[2-phenyl-2-[(E)-3-phenylprop-2-enoxy]ethyl]imidazole

C20H20N2O — CID 6476078

IUPAC1-[2-phenyl-2-[(E)-3-phenylprop-2-enoxy]ethyl]imidazole
SMILESC(=C/c1ccccc1)\COC(Cn1ccnc1)c1ccccc1
InChIInChI=1S/C20H20N2O/c1-3-8-18(9-4-1)10-7-15-23-20(16-22-14-13-21-17-22)19-11-5-2-6-12-19/h1-14,17,20H,15-16H2/b10-7+
InChIKeyCGFHKDCSFCLFDP-JXMROGBWSA-N
MW304.39 g/mol
LogP4.35
Rot. Bonds7

About 1-[2-phenyl-2-[(E)-3-phenylprop-2-enoxy]ethyl]imidazole

1-[2-phenyl-2-[(E)-3-phenylprop-2-enoxy]ethyl]imidazole (PubChem CID 6476078) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-[2-phenyl-2-[(E)-3-phenylprop-2-enoxy]ethyl]imidazole.

Molecular Properties

Compound Name1-[2-phenyl-2-[(E)-3-phenylprop-2-enoxy]ethyl]imidazole
PubChem CID6476078
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC Name1-[2-phenyl-2-[(E)-3-phenylprop-2-enoxy]ethyl]imidazole
SMILESC(=C/c1ccccc1)\COC(Cn1ccnc1)c1ccccc1
InChIInChI=1S/C20H20N2O/c1-3-8-18(9-4-1)10-7-15-23-20(16-22-14-13-21-17-22)19-11-5-2-6-12-19/h1-14,17,20H,15-16H2/b10-7+
InChIKeyCGFHKDCSFCLFDP-JXMROGBWSA-N
XLogP4.35
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 ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Miconazole
CID 4189
Imazalil
CID 37175
Econazole
CID 3198
Econazole Nitrate
CID 68589
Miconazole Nitrate
CID 68553
Isoconazole
CID 3760
Skf 96365
CID 104955
(S)-miconazole
CID 969503
Isoconazole Nitrate
CID 159968
alpha-(4-(2-Phenylethyl)phenyl)-1H-imidazole-1-ethanol
CID 53626
(R)-Miconazole
CID 1150344
SKF-96365 free base
CID 104956

Frequently Asked Questions

What is the IUPAC name of 1-[2-phenyl-2-[(E)-3-phenylprop-2-enoxy]ethyl]imidazole?
The IUPAC name of 1-[2-phenyl-2-[(E)-3-phenylprop-2-enoxy]ethyl]imidazole (CID 6476078) is 1-[2-phenyl-2-[(E)-3-phenylprop-2-enoxy]ethyl]imidazole.
What is the SMILES notation for 1-[2-phenyl-2-[(E)-3-phenylprop-2-enoxy]ethyl]imidazole?
The canonical SMILES for 1-[2-phenyl-2-[(E)-3-phenylprop-2-enoxy]ethyl]imidazole is C(=C/c1ccccc1)\COC(Cn1ccnc1)c1ccccc1.
What is the InChIKey of 1-[2-phenyl-2-[(E)-3-phenylprop-2-enoxy]ethyl]imidazole?
The InChIKey is CGFHKDCSFCLFDP-JXMROGBWSA-N. The full InChI is InChI=1S/C20H20N2O/c1-3-8-18(9-4-1)10-7-15-23-20(16-22-14-13-21-17-22)19-11-5-2-6-12-19/h1-14,17,20H,15-16H2/b10-7+.
What are the key properties of 1-[2-phenyl-2-[(E)-3-phenylprop-2-enoxy]ethyl]imidazole?
1-[2-phenyl-2-[(E)-3-phenylprop-2-enoxy]ethyl]imidazole has a molecular weight of 304.39 g/mol, XLogP of 4.35, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-phenyl-2-[(E)-3-phenylprop-2-enoxy]ethyl]imidazole is sourced from PubChem (CID 6476078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).