1-(3-fluoro-4-methoxyphenyl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one

C16H16FN3O2 — CID 59636171

IUPAC1-(3-fluoro-4-methoxyphenyl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one
SMILESCOc1ccc(N2CCN(c3cnccc3C)C2=O)cc1F
InChIInChI=1S/C16H16FN3O2/c1-11-5-6-18-10-14(11)20-8-7-19(16(20)21)12-3-4-15(22-2)13(17)9-12/h3-6,9-10H,7-8H2,1-2H3
InChIKeyCSWKWSCUZFAQPF-UHFFFAOYSA-N
MW301.32 g/mol
LogP2.98
Rot. Bonds3

About 1-(3-fluoro-4-methoxyphenyl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one

1-(3-fluoro-4-methoxyphenyl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one (PubChem CID 59636171) has the molecular formula C16H16FN3O2 and a molecular weight of 301.32 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one
PubChem CID59636171
Molecular FormulaC16H16FN3O2
Molecular Weight301.32 g/mol
Exact Mass301.12
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one
SMILESCOc1ccc(N2CCN(c3cnccc3C)C2=O)cc1F
InChIInChI=1S/C16H16FN3O2/c1-11-5-6-18-10-14(11)20-8-7-19(16(20)21)12-3-4-15(22-2)13(17)9-12/h3-6,9-10H,7-8H2,1-2H3
InChIKeyCSWKWSCUZFAQPF-UHFFFAOYSA-N
XLogP2.98
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one (CID 59636171) is 1-(3-fluoro-4-methoxyphenyl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one is COc1ccc(N2CCN(c3cnccc3C)C2=O)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one?
The InChIKey is CSWKWSCUZFAQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2/c1-11-5-6-18-10-14(11)20-8-7-19(16(20)21)12-3-4-15(22-2)13(17)9-12/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one?
1-(3-fluoro-4-methoxyphenyl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one has a molecular weight of 301.32 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one is sourced from PubChem (CID 59636171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).