1-[2-[[4-[(1S)-1,2-dihydroxyethyl]-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]ethyl]imidazolidin-2-one

C24H25FN4O4 — CID 57405555

IUPAC1-[2-[[4-[(1S)-1,2-dihydroxyethyl]-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCNc1cc([C@H](O)CO)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C24H25FN4O4/c25-18-3-7-20(8-4-18)33-19-5-1-16(2-6-19)21-13-17(22(31)15-30)14-23(28-21)26-9-11-29-12-10-27-24(29)32/h1-8,13-14,22,30-31H,9-12,15H2,(H,26,28)(H,27,32)/t22-/m1/s1
InChIKeyLYKXQUXFNPRMLU-JOCHJYFZSA-N
MW452.49 g/mol
LogP3.14
Rot. Bonds9

About 1-[2-[[4-[(1S)-1,2-dihydroxyethyl]-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]ethyl]imidazolidin-2-one

1-[2-[[4-[(1S)-1,2-dihydroxyethyl]-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]ethyl]imidazolidin-2-one (PubChem CID 57405555) has the molecular formula C24H25FN4O4 and a molecular weight of 452.49 g/mol. Its IUPAC name is 1-[2-[[4-[(1S)-1,2-dihydroxyethyl]-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[[4-[(1S)-1,2-dihydroxyethyl]-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]ethyl]imidazolidin-2-one
PubChem CID57405555
Molecular FormulaC24H25FN4O4
Molecular Weight452.49 g/mol
Exact Mass452.19
IUPAC Name1-[2-[[4-[(1S)-1,2-dihydroxyethyl]-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCNc1cc([C@H](O)CO)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C24H25FN4O4/c25-18-3-7-20(8-4-18)33-19-5-1-16(2-6-19)21-13-17(22(31)15-30)14-23(28-21)26-9-11-29-12-10-27-24(29)32/h1-8,13-14,22,30-31H,9-12,15H2,(H,26,28)(H,27,32)/t22-/m1/s1
InChIKeyLYKXQUXFNPRMLU-JOCHJYFZSA-N
XLogP3.14
TPSA106.95 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.49
LogP ≤ 53.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[4-[(1S)-1,2-dihydroxyethyl]-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[[4-[(1S)-1,2-dihydroxyethyl]-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]ethyl]imidazolidin-2-one (CID 57405555) is 1-[2-[[4-[(1S)-1,2-dihydroxyethyl]-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[[4-[(1S)-1,2-dihydroxyethyl]-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[[4-[(1S)-1,2-dihydroxyethyl]-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]ethyl]imidazolidin-2-one is O=C1NCCN1CCNc1cc([C@H](O)CO)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1.
What is the InChIKey of 1-[2-[[4-[(1S)-1,2-dihydroxyethyl]-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]ethyl]imidazolidin-2-one?
The InChIKey is LYKXQUXFNPRMLU-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H25FN4O4/c25-18-3-7-20(8-4-18)33-19-5-1-16(2-6-19)21-13-17(22(31)15-30)14-23(28-21)26-9-11-29-12-10-27-24(29)32/h1-8,13-14,22,30-31H,9-12,15H2,(H,26,28)(H,27,32)/t22-/m1/s1.
What are the key properties of 1-[2-[[4-[(1S)-1,2-dihydroxyethyl]-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]ethyl]imidazolidin-2-one?
1-[2-[[4-[(1S)-1,2-dihydroxyethyl]-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]ethyl]imidazolidin-2-one has a molecular weight of 452.49 g/mol, XLogP of 3.14, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[4-[(1S)-1,2-dihydroxyethyl]-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]ethyl]imidazolidin-2-one is sourced from PubChem (CID 57405555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).