1-[2-[[3,5-dichloro-6-fluoro-4-(4-hydroxy-3-propan-2-ylphenoxy)-2-pyridinyl]amino]ethyl]imidazolidin-2-one

C19H21Cl2FN4O3 — CID 10026399

IUPAC1-[2-[[3,5-dichloro-6-fluoro-4-(4-hydroxy-3-propan-2-ylphenoxy)-2-pyridinyl]amino]ethyl]imidazolidin-2-one
SMILESCC(C)c1cc(Oc2c(Cl)c(F)nc(NCCN3CCNC3=O)c2Cl)ccc1O
InChIInChI=1S/C19H21Cl2FN4O3/c1-10(2)12-9-11(3-4-13(12)27)29-16-14(20)17(22)25-18(15(16)21)23-5-7-26-8-6-24-19(26)28/h3-4,9-10,27H,5-8H2,1-2H3,(H,23,25)(H,24,28)
InChIKeyFRCXBQXGWSSEOX-UHFFFAOYSA-N
MW443.31 g/mol
LogP4.59
Rot. Bonds7

About 1-[2-[[3,5-dichloro-6-fluoro-4-(4-hydroxy-3-propan-2-ylphenoxy)-2-pyridinyl]amino]ethyl]imidazolidin-2-one

1-[2-[[3,5-dichloro-6-fluoro-4-(4-hydroxy-3-propan-2-ylphenoxy)-2-pyridinyl]amino]ethyl]imidazolidin-2-one (PubChem CID 10026399) has the molecular formula C19H21Cl2FN4O3 and a molecular weight of 443.31 g/mol. Its IUPAC name is 1-[2-[[3,5-dichloro-6-fluoro-4-(4-hydroxy-3-propan-2-ylphenoxy)-2-pyridinyl]amino]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[[3,5-dichloro-6-fluoro-4-(4-hydroxy-3-propan-2-ylphenoxy)-2-pyridinyl]amino]ethyl]imidazolidin-2-one
PubChem CID10026399
Molecular FormulaC19H21Cl2FN4O3
Molecular Weight443.31 g/mol
Exact Mass442.10
IUPAC Name1-[2-[[3,5-dichloro-6-fluoro-4-(4-hydroxy-3-propan-2-ylphenoxy)-2-pyridinyl]amino]ethyl]imidazolidin-2-one
SMILESCC(C)c1cc(Oc2c(Cl)c(F)nc(NCCN3CCNC3=O)c2Cl)ccc1O
InChIInChI=1S/C19H21Cl2FN4O3/c1-10(2)12-9-11(3-4-13(12)27)29-16-14(20)17(22)25-18(15(16)21)23-5-7-26-8-6-24-19(26)28/h3-4,9-10,27H,5-8H2,1-2H3,(H,23,25)(H,24,28)
InChIKeyFRCXBQXGWSSEOX-UHFFFAOYSA-N
XLogP4.59
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.31
LogP ≤ 54.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[3,5-dichloro-6-fluoro-4-(4-hydroxy-3-propan-2-ylphenoxy)-2-pyridinyl]amino]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[[3,5-dichloro-6-fluoro-4-(4-hydroxy-3-propan-2-ylphenoxy)-2-pyridinyl]amino]ethyl]imidazolidin-2-one (CID 10026399) is 1-[2-[[3,5-dichloro-6-fluoro-4-(4-hydroxy-3-propan-2-ylphenoxy)-2-pyridinyl]amino]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[[3,5-dichloro-6-fluoro-4-(4-hydroxy-3-propan-2-ylphenoxy)-2-pyridinyl]amino]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[[3,5-dichloro-6-fluoro-4-(4-hydroxy-3-propan-2-ylphenoxy)-2-pyridinyl]amino]ethyl]imidazolidin-2-one is CC(C)c1cc(Oc2c(Cl)c(F)nc(NCCN3CCNC3=O)c2Cl)ccc1O.
What is the InChIKey of 1-[2-[[3,5-dichloro-6-fluoro-4-(4-hydroxy-3-propan-2-ylphenoxy)-2-pyridinyl]amino]ethyl]imidazolidin-2-one?
The InChIKey is FRCXBQXGWSSEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2FN4O3/c1-10(2)12-9-11(3-4-13(12)27)29-16-14(20)17(22)25-18(15(16)21)23-5-7-26-8-6-24-19(26)28/h3-4,9-10,27H,5-8H2,1-2H3,(H,23,25)(H,24,28).
What are the key properties of 1-[2-[[3,5-dichloro-6-fluoro-4-(4-hydroxy-3-propan-2-ylphenoxy)-2-pyridinyl]amino]ethyl]imidazolidin-2-one?
1-[2-[[3,5-dichloro-6-fluoro-4-(4-hydroxy-3-propan-2-ylphenoxy)-2-pyridinyl]amino]ethyl]imidazolidin-2-one has a molecular weight of 443.31 g/mol, XLogP of 4.59, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[3,5-dichloro-6-fluoro-4-(4-hydroxy-3-propan-2-ylphenoxy)-2-pyridinyl]amino]ethyl]imidazolidin-2-one is sourced from PubChem (CID 10026399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).