2-ethyl-1-[4-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]phenyl]imidazole

C24H27FN2O3 — CID 18920205

IUPAC2-ethyl-1-[4-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]phenyl]imidazole
SMILESCCc1nccn1-c1ccc(COc2cc(F)cc(C3(OC)CCOCC3)c2)cc1
InChIInChI=1S/C24H27FN2O3/c1-3-23-26-10-11-27(23)21-6-4-18(5-7-21)17-30-22-15-19(14-20(25)16-22)24(28-2)8-12-29-13-9-24/h4-7,10-11,14-16H,3,8-9,12-13,17H2,1-2H3
InChIKeyJTZHLDCAMWWNJT-UHFFFAOYSA-N
MW410.49 g/mol
LogP4.80
Rot. Bonds7

About 2-ethyl-1-[4-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]phenyl]imidazole

2-ethyl-1-[4-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]phenyl]imidazole (PubChem CID 18920205) has the molecular formula C24H27FN2O3 and a molecular weight of 410.49 g/mol. Its IUPAC name is 2-ethyl-1-[4-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]phenyl]imidazole.

Molecular Properties

Compound Name2-ethyl-1-[4-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]phenyl]imidazole
PubChem CID18920205
Molecular FormulaC24H27FN2O3
Molecular Weight410.49 g/mol
Exact Mass410.20
IUPAC Name2-ethyl-1-[4-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]phenyl]imidazole
SMILESCCc1nccn1-c1ccc(COc2cc(F)cc(C3(OC)CCOCC3)c2)cc1
InChIInChI=1S/C24H27FN2O3/c1-3-23-26-10-11-27(23)21-6-4-18(5-7-21)17-30-22-15-19(14-20(25)16-22)24(28-2)8-12-29-13-9-24/h4-7,10-11,14-16H,3,8-9,12-13,17H2,1-2H3
InChIKeyJTZHLDCAMWWNJT-UHFFFAOYSA-N
XLogP4.80
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[4-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]phenyl]imidazole?
The IUPAC name of 2-ethyl-1-[4-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]phenyl]imidazole (CID 18920205) is 2-ethyl-1-[4-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]phenyl]imidazole.
What is the SMILES notation for 2-ethyl-1-[4-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]phenyl]imidazole?
The canonical SMILES for 2-ethyl-1-[4-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]phenyl]imidazole is CCc1nccn1-c1ccc(COc2cc(F)cc(C3(OC)CCOCC3)c2)cc1.
What is the InChIKey of 2-ethyl-1-[4-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]phenyl]imidazole?
The InChIKey is JTZHLDCAMWWNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O3/c1-3-23-26-10-11-27(23)21-6-4-18(5-7-21)17-30-22-15-19(14-20(25)16-22)24(28-2)8-12-29-13-9-24/h4-7,10-11,14-16H,3,8-9,12-13,17H2,1-2H3.
What are the key properties of 2-ethyl-1-[4-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]phenyl]imidazole?
2-ethyl-1-[4-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]phenyl]imidazole has a molecular weight of 410.49 g/mol, XLogP of 4.80, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[4-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]phenyl]imidazole is sourced from PubChem (CID 18920205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).