3-[3-(4-fluorophenoxy)propyl]-2,4-dihydroimidazole

C12H15FN2O — CID 57285802

IUPAC3-[3-(4-fluorophenoxy)propyl]-2,4-dihydroimidazole
SMILESFc1ccc(OCCCN2CC=NC2)cc1
InChIInChI=1S/C12H15FN2O/c13-11-2-4-12(5-3-11)16-9-1-7-15-8-6-14-10-15/h2-6H,1,7-10H2
InChIKeyUJBZANQIKNFNPK-UHFFFAOYSA-N
MW222.26 g/mol
LogP1.94
Rot. Bonds5

About 3-[3-(4-fluorophenoxy)propyl]-2,4-dihydroimidazole

3-[3-(4-fluorophenoxy)propyl]-2,4-dihydroimidazole (PubChem CID 57285802) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is 3-[3-(4-fluorophenoxy)propyl]-2,4-dihydroimidazole.

Molecular Properties

Compound Name3-[3-(4-fluorophenoxy)propyl]-2,4-dihydroimidazole
PubChem CID57285802
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name3-[3-(4-fluorophenoxy)propyl]-2,4-dihydroimidazole
SMILESFc1ccc(OCCCN2CC=NC2)cc1
InChIInChI=1S/C12H15FN2O/c13-11-2-4-12(5-3-11)16-9-1-7-15-8-6-14-10-15/h2-6H,1,7-10H2
InChIKeyUJBZANQIKNFNPK-UHFFFAOYSA-N
XLogP1.94
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 51.94
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

2-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]ethanol
CID 139776336
1-[3-(4-fluorophenoxy)propyl]-4-[(4-fluorophenyl)methyl]piperidine
CID 10831375
1-[3-(4-fluorophenoxy)propyl]azepane;oxalic acid
CID 2944017
[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]methanamine
CID 22390813
1-[3-(4-fluorophenoxy)propyl]-4-methylpiperidin-4-amine;hydrate;dihydrochloride
CID 21472470
2-[1-[3-(4-fluorophenoxy)propyl]azetidin-3-yl]acetic acid
CID 64616475
1-[3-(4-fluorophenoxy)propyl]-3-methylpiperidin-4-ol
CID 114681363
[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 14968317
ethyl 4-[3-(4-fluorophenoxy)propyl]piperazine-1-carboxylate
CID 10710086
[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanol
CID 10737302
1-[3-(4-fluorophenoxy)propyl]-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine
CID 82365300
1-ethyl-4-[2-(4-fluorophenoxy)ethyl]piperazine
CID 1301156

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluorophenoxy)propyl]-2,4-dihydroimidazole?
The IUPAC name of 3-[3-(4-fluorophenoxy)propyl]-2,4-dihydroimidazole (CID 57285802) is 3-[3-(4-fluorophenoxy)propyl]-2,4-dihydroimidazole.
What is the SMILES notation for 3-[3-(4-fluorophenoxy)propyl]-2,4-dihydroimidazole?
The canonical SMILES for 3-[3-(4-fluorophenoxy)propyl]-2,4-dihydroimidazole is Fc1ccc(OCCCN2CC=NC2)cc1.
What is the InChIKey of 3-[3-(4-fluorophenoxy)propyl]-2,4-dihydroimidazole?
The InChIKey is UJBZANQIKNFNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c13-11-2-4-12(5-3-11)16-9-1-7-15-8-6-14-10-15/h2-6H,1,7-10H2.
What are the key properties of 3-[3-(4-fluorophenoxy)propyl]-2,4-dihydroimidazole?
3-[3-(4-fluorophenoxy)propyl]-2,4-dihydroimidazole has a molecular weight of 222.26 g/mol, XLogP of 1.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluorophenoxy)propyl]-2,4-dihydroimidazole is sourced from PubChem (CID 57285802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).