1-(3-fluorophenyl)-4-[(5-methyl-3-pyridinyl)oxymethyl]imidazolidin-2-one

C16H16FN3O2 — CID 145472836

IUPAC1-(3-fluorophenyl)-4-[(5-methyl-3-pyridinyl)oxymethyl]imidazolidin-2-one
SMILESCc1cncc(OCC2CN(c3cccc(F)c3)C(=O)N2)c1
InChIInChI=1S/C16H16FN3O2/c1-11-5-15(8-18-7-11)22-10-13-9-20(16(21)19-13)14-4-2-3-12(17)6-14/h2-8,13H,9-10H2,1H3,(H,19,21)
InChIKeyWAMUGZRLGMHNSW-UHFFFAOYSA-N
MW301.32 g/mol
LogP2.51
Rot. Bonds4

About 1-(3-fluorophenyl)-4-[(5-methyl-3-pyridinyl)oxymethyl]imidazolidin-2-one

1-(3-fluorophenyl)-4-[(5-methyl-3-pyridinyl)oxymethyl]imidazolidin-2-one (PubChem CID 145472836) has the molecular formula C16H16FN3O2 and a molecular weight of 301.32 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-4-[(5-methyl-3-pyridinyl)oxymethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(3-fluorophenyl)-4-[(5-methyl-3-pyridinyl)oxymethyl]imidazolidin-2-one
PubChem CID145472836
Molecular FormulaC16H16FN3O2
Molecular Weight301.32 g/mol
Exact Mass301.12
IUPAC Name1-(3-fluorophenyl)-4-[(5-methyl-3-pyridinyl)oxymethyl]imidazolidin-2-one
SMILESCc1cncc(OCC2CN(c3cccc(F)c3)C(=O)N2)c1
InChIInChI=1S/C16H16FN3O2/c1-11-5-15(8-18-7-11)22-10-13-9-20(16(21)19-13)14-4-2-3-12(17)6-14/h2-8,13H,9-10H2,1H3,(H,19,21)
InChIKeyWAMUGZRLGMHNSW-UHFFFAOYSA-N
XLogP2.51
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-4-[(5-methyl-3-pyridinyl)oxymethyl]imidazolidin-2-one?
The IUPAC name of 1-(3-fluorophenyl)-4-[(5-methyl-3-pyridinyl)oxymethyl]imidazolidin-2-one (CID 145472836) is 1-(3-fluorophenyl)-4-[(5-methyl-3-pyridinyl)oxymethyl]imidazolidin-2-one.
What is the SMILES notation for 1-(3-fluorophenyl)-4-[(5-methyl-3-pyridinyl)oxymethyl]imidazolidin-2-one?
The canonical SMILES for 1-(3-fluorophenyl)-4-[(5-methyl-3-pyridinyl)oxymethyl]imidazolidin-2-one is Cc1cncc(OCC2CN(c3cccc(F)c3)C(=O)N2)c1.
What is the InChIKey of 1-(3-fluorophenyl)-4-[(5-methyl-3-pyridinyl)oxymethyl]imidazolidin-2-one?
The InChIKey is WAMUGZRLGMHNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2/c1-11-5-15(8-18-7-11)22-10-13-9-20(16(21)19-13)14-4-2-3-12(17)6-14/h2-8,13H,9-10H2,1H3,(H,19,21).
What are the key properties of 1-(3-fluorophenyl)-4-[(5-methyl-3-pyridinyl)oxymethyl]imidazolidin-2-one?
1-(3-fluorophenyl)-4-[(5-methyl-3-pyridinyl)oxymethyl]imidazolidin-2-one has a molecular weight of 301.32 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-4-[(5-methyl-3-pyridinyl)oxymethyl]imidazolidin-2-one is sourced from PubChem (CID 145472836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).