1-[2-(4-fluorophenoxy)ethyl]-4-phenyl-5-(2-pyrazol-1-ylethyl)imidazole

C22H21FN4O — CID 50967928

IUPAC1-[2-(4-fluorophenoxy)ethyl]-4-phenyl-5-(2-pyrazol-1-ylethyl)imidazole
SMILESFc1ccc(OCCn2cnc(-c3ccccc3)c2CCn2cccn2)cc1
InChIInChI=1S/C22H21FN4O/c23-19-7-9-20(10-8-19)28-16-15-26-17-24-22(18-5-2-1-3-6-18)21(26)11-14-27-13-4-12-25-27/h1-10,12-13,17H,11,14-16H2
InChIKeyJUSVVZTUIBONTR-UHFFFAOYSA-N
MW376.44 g/mol
LogP4.21
Rot. Bonds8

About 1-[2-(4-fluorophenoxy)ethyl]-4-phenyl-5-(2-pyrazol-1-ylethyl)imidazole

1-[2-(4-fluorophenoxy)ethyl]-4-phenyl-5-(2-pyrazol-1-ylethyl)imidazole (PubChem CID 50967928) has the molecular formula C22H21FN4O and a molecular weight of 376.44 g/mol. Its IUPAC name is 1-[2-(4-fluorophenoxy)ethyl]-4-phenyl-5-(2-pyrazol-1-ylethyl)imidazole.

Molecular Properties

Compound Name1-[2-(4-fluorophenoxy)ethyl]-4-phenyl-5-(2-pyrazol-1-ylethyl)imidazole
PubChem CID50967928
Molecular FormulaC22H21FN4O
Molecular Weight376.44 g/mol
Exact Mass376.17
IUPAC Name1-[2-(4-fluorophenoxy)ethyl]-4-phenyl-5-(2-pyrazol-1-ylethyl)imidazole
SMILESFc1ccc(OCCn2cnc(-c3ccccc3)c2CCn2cccn2)cc1
InChIInChI=1S/C22H21FN4O/c23-19-7-9-20(10-8-19)28-16-15-26-17-24-22(18-5-2-1-3-6-18)21(26)11-14-27-13-4-12-25-27/h1-10,12-13,17H,11,14-16H2
InChIKeyJUSVVZTUIBONTR-UHFFFAOYSA-N
XLogP4.21
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-4-[[4-phenyl-5-(2-pyrazol-1-ylethyl)imidazol-1-yl]methyl]pyridine
CID 50964809
1-(3-phenoxypropyl)pyrazole
CID 55028379
1-[2-(4-bromophenoxy)ethyl]pyrazole
CID 46739423
5-(1H-imidazol-2-yl)-1-(2-phenoxyethyl)-4-phenylimidazole
CID 50965581
1-[2-(4-fluorophenoxy)ethyl]-3-phenylpyrazole-4-carboxamide
CID 56822684
N-methyl-4-(2-pyrazol-1-ylethoxy)aniline
CID 39205104
1-ethyl-2-[3-(4-fluorophenoxy)propyl]-3-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111903988
1-(4-fluorophenoxy)-3-pyrazol-1-ylpropan-2-ol
CID 109411608
1-[2-(3-bromo-5-fluorophenoxy)ethyl]pyrazole
CID 80964955
3-(2-pyrazol-1-ylethoxy)pyridine
CID 112558686
4-[4-(2-pyrazol-1-ylethoxy)phenyl]butan-2-amine
CID 61491560
2-methyl-N-[[4-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-2-amine
CID 62448293

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenoxy)ethyl]-4-phenyl-5-(2-pyrazol-1-ylethyl)imidazole?
The IUPAC name of 1-[2-(4-fluorophenoxy)ethyl]-4-phenyl-5-(2-pyrazol-1-ylethyl)imidazole (CID 50967928) is 1-[2-(4-fluorophenoxy)ethyl]-4-phenyl-5-(2-pyrazol-1-ylethyl)imidazole.
What is the SMILES notation for 1-[2-(4-fluorophenoxy)ethyl]-4-phenyl-5-(2-pyrazol-1-ylethyl)imidazole?
The canonical SMILES for 1-[2-(4-fluorophenoxy)ethyl]-4-phenyl-5-(2-pyrazol-1-ylethyl)imidazole is Fc1ccc(OCCn2cnc(-c3ccccc3)c2CCn2cccn2)cc1.
What is the InChIKey of 1-[2-(4-fluorophenoxy)ethyl]-4-phenyl-5-(2-pyrazol-1-ylethyl)imidazole?
The InChIKey is JUSVVZTUIBONTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O/c23-19-7-9-20(10-8-19)28-16-15-26-17-24-22(18-5-2-1-3-6-18)21(26)11-14-27-13-4-12-25-27/h1-10,12-13,17H,11,14-16H2.
What are the key properties of 1-[2-(4-fluorophenoxy)ethyl]-4-phenyl-5-(2-pyrazol-1-ylethyl)imidazole?
1-[2-(4-fluorophenoxy)ethyl]-4-phenyl-5-(2-pyrazol-1-ylethyl)imidazole has a molecular weight of 376.44 g/mol, XLogP of 4.21, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenoxy)ethyl]-4-phenyl-5-(2-pyrazol-1-ylethyl)imidazole is sourced from PubChem (CID 50967928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).