1-[4-[[3-(4-ethoxyoxan-4-yl)-5-fluorophenoxy]methyl]phenyl]-2-methylimidazole

C24H27FN2O3 — CID 11350397

IUPAC1-[4-[[3-(4-ethoxyoxan-4-yl)-5-fluorophenoxy]methyl]phenyl]-2-methylimidazole
SMILESCCOC1(c2cc(F)cc(OCc3ccc(-n4ccnc4C)cc3)c2)CCOCC1
InChIInChI=1S/C24H27FN2O3/c1-3-30-24(8-12-28-13-9-24)20-14-21(25)16-23(15-20)29-17-19-4-6-22(7-5-19)27-11-10-26-18(27)2/h4-7,10-11,14-16H,3,8-9,12-13,17H2,1-2H3
InChIKeyCPNIJZUBXNYRFY-UHFFFAOYSA-N
MW410.49 g/mol
LogP4.94
Rot. Bonds7

About 1-[4-[[3-(4-ethoxyoxan-4-yl)-5-fluorophenoxy]methyl]phenyl]-2-methylimidazole

1-[4-[[3-(4-ethoxyoxan-4-yl)-5-fluorophenoxy]methyl]phenyl]-2-methylimidazole (PubChem CID 11350397) has the molecular formula C24H27FN2O3 and a molecular weight of 410.49 g/mol. Its IUPAC name is 1-[4-[[3-(4-ethoxyoxan-4-yl)-5-fluorophenoxy]methyl]phenyl]-2-methylimidazole.

Molecular Properties

Compound Name1-[4-[[3-(4-ethoxyoxan-4-yl)-5-fluorophenoxy]methyl]phenyl]-2-methylimidazole
PubChem CID11350397
Molecular FormulaC24H27FN2O3
Molecular Weight410.49 g/mol
Exact Mass410.20
IUPAC Name1-[4-[[3-(4-ethoxyoxan-4-yl)-5-fluorophenoxy]methyl]phenyl]-2-methylimidazole
SMILESCCOC1(c2cc(F)cc(OCc3ccc(-n4ccnc4C)cc3)c2)CCOCC1
InChIInChI=1S/C24H27FN2O3/c1-3-30-24(8-12-28-13-9-24)20-14-21(25)16-23(15-20)29-17-19-4-6-22(7-5-19)27-11-10-26-18(27)2/h4-7,10-11,14-16H,3,8-9,12-13,17H2,1-2H3
InChIKeyCPNIJZUBXNYRFY-UHFFFAOYSA-N
XLogP4.94
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 ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-Methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 146659124
4-(5-fluoro-3-(4-(2-methyl-1H-imidazol-1-yl)benzyloxy)phenyl)-4-methoxy-3,4,5,6-tetrahydro-2H-pyran
CID 10386055
CJ-13454
CID 9931329
7-Methyl-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 134179283
5-Methyl-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 134179296
3-[4-[(2-Methylpropan-2-yl)oxy]phenyl]-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 134179301
3,6-Bis(4-isopropoxyphenyl)imidazo[1,2-a]pyridine
CID 134179604
6-(2-Methyl-4-propan-2-yloxyphenyl)-3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 134179844
6-[4-[(2-Methylpropan-2-yl)oxy]phenyl]-3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 134179851
4-[5-(4-Fluorophenyl)-3-(3-phenoxypropyl)imidazol-4-yl]pyridine
CID 10761882
4-{3-Fluoro-5-[4-(2-methyl-imidazol-1-yl)-benzyloxy]-phenyl}-tetrahydro-pyran-4-ol
CID 11164952
1-(4-{3-Fluoro-5-[4-(2-methyl-imidazol-1-yl)-benzyloxy]-phenyl}-tetrahydro-pyran-4-yl)-ethanone
CID 11269805

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[3-(4-ethoxyoxan-4-yl)-5-fluorophenoxy]methyl]phenyl]-2-methylimidazole?
The IUPAC name of 1-[4-[[3-(4-ethoxyoxan-4-yl)-5-fluorophenoxy]methyl]phenyl]-2-methylimidazole (CID 11350397) is 1-[4-[[3-(4-ethoxyoxan-4-yl)-5-fluorophenoxy]methyl]phenyl]-2-methylimidazole.
What is the SMILES notation for 1-[4-[[3-(4-ethoxyoxan-4-yl)-5-fluorophenoxy]methyl]phenyl]-2-methylimidazole?
The canonical SMILES for 1-[4-[[3-(4-ethoxyoxan-4-yl)-5-fluorophenoxy]methyl]phenyl]-2-methylimidazole is CCOC1(c2cc(F)cc(OCc3ccc(-n4ccnc4C)cc3)c2)CCOCC1.
What is the InChIKey of 1-[4-[[3-(4-ethoxyoxan-4-yl)-5-fluorophenoxy]methyl]phenyl]-2-methylimidazole?
The InChIKey is CPNIJZUBXNYRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O3/c1-3-30-24(8-12-28-13-9-24)20-14-21(25)16-23(15-20)29-17-19-4-6-22(7-5-19)27-11-10-26-18(27)2/h4-7,10-11,14-16H,3,8-9,12-13,17H2,1-2H3.
What are the key properties of 1-[4-[[3-(4-ethoxyoxan-4-yl)-5-fluorophenoxy]methyl]phenyl]-2-methylimidazole?
1-[4-[[3-(4-ethoxyoxan-4-yl)-5-fluorophenoxy]methyl]phenyl]-2-methylimidazole has a molecular weight of 410.49 g/mol, XLogP of 4.94, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[3-(4-ethoxyoxan-4-yl)-5-fluorophenoxy]methyl]phenyl]-2-methylimidazole is sourced from PubChem (CID 11350397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).