1-[(3R)-5-[4-(4-fluorophenyl)phenoxy]-3-methylpentyl]-3-pyridin-4-ylimidazolidin-2-one

C26H28FN3O2 — CID 10094414

IUPAC1-[(3R)-5-[4-(4-fluorophenyl)phenoxy]-3-methylpentyl]-3-pyridin-4-ylimidazolidin-2-one
SMILESC[C@@H](CCOc1ccc(-c2ccc(F)cc2)cc1)CCN1CCN(c2ccncc2)C1=O
InChIInChI=1S/C26H28FN3O2/c1-20(12-16-29-17-18-30(26(29)31)24-10-14-28-15-11-24)13-19-32-25-8-4-22(5-9-25)21-2-6-23(27)7-3-21/h2-11,14-15,20H,12-13,16-19H2,1H3/t20-/m1/s1
InChIKeyVFFOJXIYHSXRMW-HXUWFJFHSA-N
MW433.53 g/mol
LogP5.62
Rot. Bonds9

About 1-[(3R)-5-[4-(4-fluorophenyl)phenoxy]-3-methylpentyl]-3-pyridin-4-ylimidazolidin-2-one

1-[(3R)-5-[4-(4-fluorophenyl)phenoxy]-3-methylpentyl]-3-pyridin-4-ylimidazolidin-2-one (PubChem CID 10094414) has the molecular formula C26H28FN3O2 and a molecular weight of 433.53 g/mol. Its IUPAC name is 1-[(3R)-5-[4-(4-fluorophenyl)phenoxy]-3-methylpentyl]-3-pyridin-4-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-[(3R)-5-[4-(4-fluorophenyl)phenoxy]-3-methylpentyl]-3-pyridin-4-ylimidazolidin-2-one
PubChem CID10094414
Molecular FormulaC26H28FN3O2
Molecular Weight433.53 g/mol
Exact Mass433.22
IUPAC Name1-[(3R)-5-[4-(4-fluorophenyl)phenoxy]-3-methylpentyl]-3-pyridin-4-ylimidazolidin-2-one
SMILESC[C@@H](CCOc1ccc(-c2ccc(F)cc2)cc1)CCN1CCN(c2ccncc2)C1=O
InChIInChI=1S/C26H28FN3O2/c1-20(12-16-29-17-18-30(26(29)31)24-10-14-28-15-11-24)13-19-32-25-8-4-22(5-9-25)21-2-6-23(27)7-3-21/h2-11,14-15,20H,12-13,16-19H2,1H3/t20-/m1/s1
InChIKeyVFFOJXIYHSXRMW-HXUWFJFHSA-N
XLogP5.62
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.53
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(3R)-5-[4-(4-fluorophenyl)phenoxy]-3-methylpentyl]-3-pyridin-4-ylimidazolidin-2-one with MolForge

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Related Compounds

4-((5-(2-Oxo-3-(Pyridin-4-Yl)imidazolidin-1-Yl)pentyl)oxy)benzaldehyde O-Ethyl Oxime
CID 10250152
1-[5-[4-(2-Ethyltetrazol-5-yl)phenoxy]-3-methyl-pentyl]-3-(4-pyridyl)imidazolidin-2-one
CID 5278489
1-[6-[(3-Cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]-3-methylimidazolidin-2-one
CID 11741247
1-[5-[4-[(Z)-ethoxyiminomethyl]phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one
CID 58934084
1-[(5-Fluoro-2-pyridinyl)methyl]-1-(1-methylpiperidin-4-yl)-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]urea
CID 168286940
1-(2-amino-4-pyridinyl)-3-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]-3-methylpentyl]imidazolidin-2-one
CID 91799322
N-pyridin-3-yl-4-[[3-[4-(trifluoromethyl)phenoxy]phenyl]methyl]piperidine-1-carboxamide
CID 145977816
1-(2-Amino-4-pyridinyl)-3-[5-[4-[(ethoxyamino)methyl]phenoxy]-3-methylpentyl]imidazolidin-2-one
CID 155535387
1-(2-amino-4-pyridinyl)-3-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]imidazolidin-2-one
CID 155536334
1-[3-[4-(4-Fluorophenyl)phenoxy]propyl]-4-pyridin-4-ylpiperazine
CID 162662563
1-[3-(4-Benzylphenoxy)propyl]-4-pyridin-4-ylpiperazine
CID 162666847
1-(4-Pyridyl)-3-[6-[4-(trifluoromethyl)phenoxy]hexyl]imidazolidin-2-one
CID 493080

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-5-[4-(4-fluorophenyl)phenoxy]-3-methylpentyl]-3-pyridin-4-ylimidazolidin-2-one?
The IUPAC name of 1-[(3R)-5-[4-(4-fluorophenyl)phenoxy]-3-methylpentyl]-3-pyridin-4-ylimidazolidin-2-one (CID 10094414) is 1-[(3R)-5-[4-(4-fluorophenyl)phenoxy]-3-methylpentyl]-3-pyridin-4-ylimidazolidin-2-one.
What is the SMILES notation for 1-[(3R)-5-[4-(4-fluorophenyl)phenoxy]-3-methylpentyl]-3-pyridin-4-ylimidazolidin-2-one?
The canonical SMILES for 1-[(3R)-5-[4-(4-fluorophenyl)phenoxy]-3-methylpentyl]-3-pyridin-4-ylimidazolidin-2-one is C[C@@H](CCOc1ccc(-c2ccc(F)cc2)cc1)CCN1CCN(c2ccncc2)C1=O.
What is the InChIKey of 1-[(3R)-5-[4-(4-fluorophenyl)phenoxy]-3-methylpentyl]-3-pyridin-4-ylimidazolidin-2-one?
The InChIKey is VFFOJXIYHSXRMW-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H28FN3O2/c1-20(12-16-29-17-18-30(26(29)31)24-10-14-28-15-11-24)13-19-32-25-8-4-22(5-9-25)21-2-6-23(27)7-3-21/h2-11,14-15,20H,12-13,16-19H2,1H3/t20-/m1/s1.
What are the key properties of 1-[(3R)-5-[4-(4-fluorophenyl)phenoxy]-3-methylpentyl]-3-pyridin-4-ylimidazolidin-2-one?
1-[(3R)-5-[4-(4-fluorophenyl)phenoxy]-3-methylpentyl]-3-pyridin-4-ylimidazolidin-2-one has a molecular weight of 433.53 g/mol, XLogP of 5.62, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-5-[4-(4-fluorophenyl)phenoxy]-3-methylpentyl]-3-pyridin-4-ylimidazolidin-2-one is sourced from PubChem (CID 10094414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).