N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-[4-(4-methylphenoxy)phenoxy]acetamide

C26H24FN3O3 — CID 55521199

IUPACN-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-[4-(4-methylphenoxy)phenoxy]acetamide
SMILESCc1ccc(Oc2ccc(OCC(=O)NC(c3ccc(F)cc3)c3nccn3C)cc2)cc1
InChIInChI=1S/C26H24FN3O3/c1-18-3-9-22(10-4-18)33-23-13-11-21(12-14-23)32-17-24(31)29-25(26-28-15-16-30(26)2)19-5-7-20(27)8-6-19/h3-16,25H,17H2,1-2H3,(H,29,31)
InChIKeyQMWFPHCCBOJVJU-UHFFFAOYSA-N
MW445.49 g/mol
LogP4.94
Rot. Bonds8

About N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-[4-(4-methylphenoxy)phenoxy]acetamide

N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-[4-(4-methylphenoxy)phenoxy]acetamide (PubChem CID 55521199) has the molecular formula C26H24FN3O3 and a molecular weight of 445.49 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-[4-(4-methylphenoxy)phenoxy]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-[4-(4-methylphenoxy)phenoxy]acetamide
PubChem CID55521199
Molecular FormulaC26H24FN3O3
Molecular Weight445.49 g/mol
Exact Mass445.18
IUPAC NameN-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-[4-(4-methylphenoxy)phenoxy]acetamide
SMILESCc1ccc(Oc2ccc(OCC(=O)NC(c3ccc(F)cc3)c3nccn3C)cc2)cc1
InChIInChI=1S/C26H24FN3O3/c1-18-3-9-22(10-4-18)33-23-13-11-21(12-14-23)32-17-24(31)29-25(26-28-15-16-30(26)2)19-5-7-20(27)8-6-19/h3-16,25H,17H2,1-2H3,(H,29,31)
InChIKeyQMWFPHCCBOJVJU-UHFFFAOYSA-N
XLogP4.94
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.49
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-cyanophenoxy)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 41023714
2-(2,6-dimethylphenoxy)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 51260009
(2R)-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methylphenoxy)propanamide
CID 25369016
N-[2-[[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-2-oxoethyl]-4-methylbenzamide
CID 25358357
2-(4-fluorophenoxy)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 51269495
3-(3,5-dimethylphenoxy)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 42949172
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 46528259
N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-methylphenoxy)acetamide
CID 40952513
N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylphenyl)acetamide
CID 25338605
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methoxypropanamide
CID 110429258
1-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-methylphenyl)urea
CID 25358086
2-(3-fluorophenoxy)-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 17395739

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-[4-(4-methylphenoxy)phenoxy]acetamide?
The IUPAC name of N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-[4-(4-methylphenoxy)phenoxy]acetamide (CID 55521199) is N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-[4-(4-methylphenoxy)phenoxy]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-[4-(4-methylphenoxy)phenoxy]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-[4-(4-methylphenoxy)phenoxy]acetamide is Cc1ccc(Oc2ccc(OCC(=O)NC(c3ccc(F)cc3)c3nccn3C)cc2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-[4-(4-methylphenoxy)phenoxy]acetamide?
The InChIKey is QMWFPHCCBOJVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O3/c1-18-3-9-22(10-4-18)33-23-13-11-21(12-14-23)32-17-24(31)29-25(26-28-15-16-30(26)2)19-5-7-20(27)8-6-19/h3-16,25H,17H2,1-2H3,(H,29,31).
What are the key properties of N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-[4-(4-methylphenoxy)phenoxy]acetamide?
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-[4-(4-methylphenoxy)phenoxy]acetamide has a molecular weight of 445.49 g/mol, XLogP of 4.94, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-[4-(4-methylphenoxy)phenoxy]acetamide is sourced from PubChem (CID 55521199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).