1-[7-[[(1R)-1-(4-fluoro-3-hydroxyphenyl)ethyl]amino]heptyl]-2-hydroxyimidazolidin-4-one

C18H28FN3O3 — CID 134553623

IUPAC1-[7-[[(1R)-1-(4-fluoro-3-hydroxyphenyl)ethyl]amino]heptyl]-2-hydroxyimidazolidin-4-one
SMILESC[C@@H](NCCCCCCCN1CC(=O)NC1O)c1ccc(F)c(O)c1
InChIInChI=1S/C18H28FN3O3/c1-13(14-7-8-15(19)16(23)11-14)20-9-5-3-2-4-6-10-22-12-17(24)21-18(22)25/h7-8,11,13,18,20,23,25H,2-6,9-10,12H2,1H3,(H,21,24)/t13-,18?/m1/s1
InChIKeyHHODFXUVDGAYCI-YJJYDOSJSA-N
MW353.44 g/mol
LogP1.84
Rot. Bonds10

About 1-[7-[[(1R)-1-(4-fluoro-3-hydroxyphenyl)ethyl]amino]heptyl]-2-hydroxyimidazolidin-4-one

1-[7-[[(1R)-1-(4-fluoro-3-hydroxyphenyl)ethyl]amino]heptyl]-2-hydroxyimidazolidin-4-one (PubChem CID 134553623) has the molecular formula C18H28FN3O3 and a molecular weight of 353.44 g/mol. Its IUPAC name is 1-[7-[[(1R)-1-(4-fluoro-3-hydroxyphenyl)ethyl]amino]heptyl]-2-hydroxyimidazolidin-4-one.

Molecular Properties

Compound Name1-[7-[[(1R)-1-(4-fluoro-3-hydroxyphenyl)ethyl]amino]heptyl]-2-hydroxyimidazolidin-4-one
PubChem CID134553623
Molecular FormulaC18H28FN3O3
Molecular Weight353.44 g/mol
Exact Mass353.21
IUPAC Name1-[7-[[(1R)-1-(4-fluoro-3-hydroxyphenyl)ethyl]amino]heptyl]-2-hydroxyimidazolidin-4-one
SMILESC[C@@H](NCCCCCCCN1CC(=O)NC1O)c1ccc(F)c(O)c1
InChIInChI=1S/C18H28FN3O3/c1-13(14-7-8-15(19)16(23)11-14)20-9-5-3-2-4-6-10-22-12-17(24)21-18(22)25/h7-8,11,13,18,20,23,25H,2-6,9-10,12H2,1H3,(H,21,24)/t13-,18?/m1/s1
InChIKeyHHODFXUVDGAYCI-YJJYDOSJSA-N
XLogP1.84
TPSA84.83 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 51.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[7-[[(1R)-1-(4-fluoro-3-hydroxyphenyl)ethyl]amino]heptyl]-2-hydroxyimidazolidin-4-one?
The IUPAC name of 1-[7-[[(1R)-1-(4-fluoro-3-hydroxyphenyl)ethyl]amino]heptyl]-2-hydroxyimidazolidin-4-one (CID 134553623) is 1-[7-[[(1R)-1-(4-fluoro-3-hydroxyphenyl)ethyl]amino]heptyl]-2-hydroxyimidazolidin-4-one.
What is the SMILES notation for 1-[7-[[(1R)-1-(4-fluoro-3-hydroxyphenyl)ethyl]amino]heptyl]-2-hydroxyimidazolidin-4-one?
The canonical SMILES for 1-[7-[[(1R)-1-(4-fluoro-3-hydroxyphenyl)ethyl]amino]heptyl]-2-hydroxyimidazolidin-4-one is C[C@@H](NCCCCCCCN1CC(=O)NC1O)c1ccc(F)c(O)c1.
What is the InChIKey of 1-[7-[[(1R)-1-(4-fluoro-3-hydroxyphenyl)ethyl]amino]heptyl]-2-hydroxyimidazolidin-4-one?
The InChIKey is HHODFXUVDGAYCI-YJJYDOSJSA-N. The full InChI is InChI=1S/C18H28FN3O3/c1-13(14-7-8-15(19)16(23)11-14)20-9-5-3-2-4-6-10-22-12-17(24)21-18(22)25/h7-8,11,13,18,20,23,25H,2-6,9-10,12H2,1H3,(H,21,24)/t13-,18?/m1/s1.
What are the key properties of 1-[7-[[(1R)-1-(4-fluoro-3-hydroxyphenyl)ethyl]amino]heptyl]-2-hydroxyimidazolidin-4-one?
1-[7-[[(1R)-1-(4-fluoro-3-hydroxyphenyl)ethyl]amino]heptyl]-2-hydroxyimidazolidin-4-one has a molecular weight of 353.44 g/mol, XLogP of 1.84, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-[[(1R)-1-(4-fluoro-3-hydroxyphenyl)ethyl]amino]heptyl]-2-hydroxyimidazolidin-4-one is sourced from PubChem (CID 134553623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).