1-(4-methoxyphenyl)-3-[(2,4,6-trifluorophenyl)methyl]imidazolidin-2-one

C17H15F3N2O2 — CID 5023328

IUPAC1-(4-methoxyphenyl)-3-[(2,4,6-trifluorophenyl)methyl]imidazolidin-2-one
SMILESCOc1ccc(N2CCN(Cc3c(F)cc(F)cc3F)C2=O)cc1
InChIInChI=1S/C17H15F3N2O2/c1-24-13-4-2-12(3-5-13)22-7-6-21(17(22)23)10-14-15(19)8-11(18)9-16(14)20/h2-5,8-9H,6-7,10H2,1H3
InChIKeyYIWPOTIIJQHGTD-UHFFFAOYSA-N
MW336.31 g/mol
LogP3.55
Rot. Bonds4

About 1-(4-methoxyphenyl)-3-[(2,4,6-trifluorophenyl)methyl]imidazolidin-2-one

1-(4-methoxyphenyl)-3-[(2,4,6-trifluorophenyl)methyl]imidazolidin-2-one (PubChem CID 5023328) has the molecular formula C17H15F3N2O2 and a molecular weight of 336.31 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-[(2,4,6-trifluorophenyl)methyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-[(2,4,6-trifluorophenyl)methyl]imidazolidin-2-one
PubChem CID5023328
Molecular FormulaC17H15F3N2O2
Molecular Weight336.31 g/mol
Exact Mass336.11
IUPAC Name1-(4-methoxyphenyl)-3-[(2,4,6-trifluorophenyl)methyl]imidazolidin-2-one
SMILESCOc1ccc(N2CCN(Cc3c(F)cc(F)cc3F)C2=O)cc1
InChIInChI=1S/C17H15F3N2O2/c1-24-13-4-2-12(3-5-13)22-7-6-21(17(22)23)10-14-15(19)8-11(18)9-16(14)20/h2-5,8-9H,6-7,10H2,1H3
InChIKeyYIWPOTIIJQHGTD-UHFFFAOYSA-N
XLogP3.55
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-[(2,4,6-trifluorophenyl)methyl]imidazolidin-2-one?
The IUPAC name of 1-(4-methoxyphenyl)-3-[(2,4,6-trifluorophenyl)methyl]imidazolidin-2-one (CID 5023328) is 1-(4-methoxyphenyl)-3-[(2,4,6-trifluorophenyl)methyl]imidazolidin-2-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-[(2,4,6-trifluorophenyl)methyl]imidazolidin-2-one?
The canonical SMILES for 1-(4-methoxyphenyl)-3-[(2,4,6-trifluorophenyl)methyl]imidazolidin-2-one is COc1ccc(N2CCN(Cc3c(F)cc(F)cc3F)C2=O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-[(2,4,6-trifluorophenyl)methyl]imidazolidin-2-one?
The InChIKey is YIWPOTIIJQHGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O2/c1-24-13-4-2-12(3-5-13)22-7-6-21(17(22)23)10-14-15(19)8-11(18)9-16(14)20/h2-5,8-9H,6-7,10H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-3-[(2,4,6-trifluorophenyl)methyl]imidazolidin-2-one?
1-(4-methoxyphenyl)-3-[(2,4,6-trifluorophenyl)methyl]imidazolidin-2-one has a molecular weight of 336.31 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-[(2,4,6-trifluorophenyl)methyl]imidazolidin-2-one is sourced from PubChem (CID 5023328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).