1-[3-(4-fluorophenoxy)propyl]imidazole

C12H13FN2O — CID 2843814

IUPAC1-[3-(4-fluorophenoxy)propyl]imidazole
SMILESFc1ccc(OCCCn2ccnc2)cc1
InChIInChI=1S/C12H13FN2O/c13-11-2-4-12(5-3-11)16-9-1-7-15-8-6-14-10-15/h2-6,8,10H,1,7,9H2
InChIKeyNIEUWSDETHQKAX-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.49
Rot. Bonds5

About 1-[3-(4-fluorophenoxy)propyl]imidazole

1-[3-(4-fluorophenoxy)propyl]imidazole (PubChem CID 2843814) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is 1-[3-(4-fluorophenoxy)propyl]imidazole.

Molecular Properties

Compound Name1-[3-(4-fluorophenoxy)propyl]imidazole
PubChem CID2843814
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name1-[3-(4-fluorophenoxy)propyl]imidazole
SMILESFc1ccc(OCCCn2ccnc2)cc1
InChIInChI=1S/C12H13FN2O/c13-11-2-4-12(5-3-11)16-9-1-7-15-8-6-14-10-15/h2-6,8,10H,1,7,9H2
InChIKeyNIEUWSDETHQKAX-UHFFFAOYSA-N
XLogP2.49
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.49
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

CID 133621
CID 133621
CID 172975
CID 172975
CID 13569172
CID 13569172
CID 867238
CID 867238
CID 868346
CID 868346
CID 868397
CID 868397
CID 868517
CID 868517
CID 2843672
CID 2843672
CID 2852313
CID 2852313
CID 2953277
CID 2953277
CID 2841348
CID 2841348
CID 2843475
CID 2843475

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenoxy)propyl]imidazole?
The IUPAC name of 1-[3-(4-fluorophenoxy)propyl]imidazole (CID 2843814) is 1-[3-(4-fluorophenoxy)propyl]imidazole.
What is the SMILES notation for 1-[3-(4-fluorophenoxy)propyl]imidazole?
The canonical SMILES for 1-[3-(4-fluorophenoxy)propyl]imidazole is Fc1ccc(OCCCn2ccnc2)cc1.
What is the InChIKey of 1-[3-(4-fluorophenoxy)propyl]imidazole?
The InChIKey is NIEUWSDETHQKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c13-11-2-4-12(5-3-11)16-9-1-7-15-8-6-14-10-15/h2-6,8,10H,1,7,9H2.
What are the key properties of 1-[3-(4-fluorophenoxy)propyl]imidazole?
1-[3-(4-fluorophenoxy)propyl]imidazole has a molecular weight of 220.25 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenoxy)propyl]imidazole is sourced from PubChem (CID 2843814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).