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

C22H20ClFN4O2 — CID 57405388

IUPAC1-[2-[[4-chloro-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCNc1cc(Cl)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C22H20ClFN4O2/c23-16-13-20(27-21(14-16)25-9-11-28-12-10-26-22(28)29)15-1-5-18(6-2-15)30-19-7-3-17(24)4-8-19/h1-8,13-14H,9-12H2,(H,25,27)(H,26,29)
InChIKeyHQSVELQAYRZSNT-UHFFFAOYSA-N
MW426.88 g/mol
LogP4.77
Rot. Bonds7

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

1-[2-[[4-chloro-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]ethyl]imidazolidin-2-one (PubChem CID 57405388) has the molecular formula C22H20ClFN4O2 and a molecular weight of 426.88 g/mol. Its IUPAC name is 1-[2-[[4-chloro-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[[4-chloro-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]ethyl]imidazolidin-2-one
PubChem CID57405388
Molecular FormulaC22H20ClFN4O2
Molecular Weight426.88 g/mol
Exact Mass426.13
IUPAC Name1-[2-[[4-chloro-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCNc1cc(Cl)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C22H20ClFN4O2/c23-16-13-20(27-21(14-16)25-9-11-28-12-10-26-22(28)29)15-1-5-18(6-2-15)30-19-7-3-17(24)4-8-19/h1-8,13-14H,9-12H2,(H,25,27)(H,26,29)
InChIKeyHQSVELQAYRZSNT-UHFFFAOYSA-N
XLogP4.77
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.88
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[4-chloro-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[[4-chloro-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]ethyl]imidazolidin-2-one (CID 57405388) is 1-[2-[[4-chloro-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[[4-chloro-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[[4-chloro-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]ethyl]imidazolidin-2-one is O=C1NCCN1CCNc1cc(Cl)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1.
What is the InChIKey of 1-[2-[[4-chloro-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]ethyl]imidazolidin-2-one?
The InChIKey is HQSVELQAYRZSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN4O2/c23-16-13-20(27-21(14-16)25-9-11-28-12-10-26-22(28)29)15-1-5-18(6-2-15)30-19-7-3-17(24)4-8-19/h1-8,13-14H,9-12H2,(H,25,27)(H,26,29).
What are the key properties of 1-[2-[[4-chloro-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]ethyl]imidazolidin-2-one?
1-[2-[[4-chloro-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]ethyl]imidazolidin-2-one has a molecular weight of 426.88 g/mol, XLogP of 4.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[4-chloro-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]ethyl]imidazolidin-2-one is sourced from PubChem (CID 57405388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).