1-[2-[3-(4-fluoro-2-methoxyphenyl)phenoxy]ethyl]imidazole

C18H17FN2O2 — CID 72851194

IUPAC1-[2-[3-(4-fluoro-2-methoxyphenyl)phenoxy]ethyl]imidazole
SMILESCOc1cc(F)ccc1-c1cccc(OCCn2ccnc2)c1
InChIInChI=1S/C18H17FN2O2/c1-22-18-12-15(19)5-6-17(18)14-3-2-4-16(11-14)23-10-9-21-8-7-20-13-21/h2-8,11-13H,9-10H2,1H3
InChIKeyIVCMAUHVHIIWLS-UHFFFAOYSA-N
MW312.34 g/mol
LogP3.78
Rot. Bonds6

About 1-[2-[3-(4-fluoro-2-methoxyphenyl)phenoxy]ethyl]imidazole

1-[2-[3-(4-fluoro-2-methoxyphenyl)phenoxy]ethyl]imidazole (PubChem CID 72851194) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is 1-[2-[3-(4-fluoro-2-methoxyphenyl)phenoxy]ethyl]imidazole.

Molecular Properties

Compound Name1-[2-[3-(4-fluoro-2-methoxyphenyl)phenoxy]ethyl]imidazole
PubChem CID72851194
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC Name1-[2-[3-(4-fluoro-2-methoxyphenyl)phenoxy]ethyl]imidazole
SMILESCOc1cc(F)ccc1-c1cccc(OCCn2ccnc2)c1
InChIInChI=1S/C18H17FN2O2/c1-22-18-12-15(19)5-6-17(18)14-3-2-4-16(11-14)23-10-9-21-8-7-20-13-21/h2-8,11-13H,9-10H2,1H3
InChIKeyIVCMAUHVHIIWLS-UHFFFAOYSA-N
XLogP3.78
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(4-fluoro-2-methoxyphenyl)phenoxy]ethyl]imidazole?
The IUPAC name of 1-[2-[3-(4-fluoro-2-methoxyphenyl)phenoxy]ethyl]imidazole (CID 72851194) is 1-[2-[3-(4-fluoro-2-methoxyphenyl)phenoxy]ethyl]imidazole.
What is the SMILES notation for 1-[2-[3-(4-fluoro-2-methoxyphenyl)phenoxy]ethyl]imidazole?
The canonical SMILES for 1-[2-[3-(4-fluoro-2-methoxyphenyl)phenoxy]ethyl]imidazole is COc1cc(F)ccc1-c1cccc(OCCn2ccnc2)c1.
What is the InChIKey of 1-[2-[3-(4-fluoro-2-methoxyphenyl)phenoxy]ethyl]imidazole?
The InChIKey is IVCMAUHVHIIWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2/c1-22-18-12-15(19)5-6-17(18)14-3-2-4-16(11-14)23-10-9-21-8-7-20-13-21/h2-8,11-13H,9-10H2,1H3.
What are the key properties of 1-[2-[3-(4-fluoro-2-methoxyphenyl)phenoxy]ethyl]imidazole?
1-[2-[3-(4-fluoro-2-methoxyphenyl)phenoxy]ethyl]imidazole has a molecular weight of 312.34 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(4-fluoro-2-methoxyphenyl)phenoxy]ethyl]imidazole is sourced from PubChem (CID 72851194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).