1-[(3,5-difluorophenyl)methyl]-4-[3-(4-methoxyphenyl)propyl]-4-methylimidazolidin-2-one

C21H24F2N2O2 — CID 142249659

IUPAC1-[(3,5-difluorophenyl)methyl]-4-[3-(4-methoxyphenyl)propyl]-4-methylimidazolidin-2-one
SMILESCOc1ccc(CCCC2(C)CN(Cc3cc(F)cc(F)c3)C(=O)N2)cc1
InChIInChI=1S/C21H24F2N2O2/c1-21(9-3-4-15-5-7-19(27-2)8-6-15)14-25(20(26)24-21)13-16-10-17(22)12-18(23)11-16/h5-8,10-12H,3-4,9,13-14H2,1-2H3,(H,24,26)
InChIKeyKRULNUHOXTYXCL-UHFFFAOYSA-N
MW374.43 g/mol
LogP4.28
Rot. Bonds7

About 1-[(3,5-difluorophenyl)methyl]-4-[3-(4-methoxyphenyl)propyl]-4-methylimidazolidin-2-one

1-[(3,5-difluorophenyl)methyl]-4-[3-(4-methoxyphenyl)propyl]-4-methylimidazolidin-2-one (PubChem CID 142249659) has the molecular formula C21H24F2N2O2 and a molecular weight of 374.43 g/mol. Its IUPAC name is 1-[(3,5-difluorophenyl)methyl]-4-[3-(4-methoxyphenyl)propyl]-4-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[(3,5-difluorophenyl)methyl]-4-[3-(4-methoxyphenyl)propyl]-4-methylimidazolidin-2-one
PubChem CID142249659
Molecular FormulaC21H24F2N2O2
Molecular Weight374.43 g/mol
Exact Mass374.18
IUPAC Name1-[(3,5-difluorophenyl)methyl]-4-[3-(4-methoxyphenyl)propyl]-4-methylimidazolidin-2-one
SMILESCOc1ccc(CCCC2(C)CN(Cc3cc(F)cc(F)c3)C(=O)N2)cc1
InChIInChI=1S/C21H24F2N2O2/c1-21(9-3-4-15-5-7-19(27-2)8-6-15)14-25(20(26)24-21)13-16-10-17(22)12-18(23)11-16/h5-8,10-12H,3-4,9,13-14H2,1-2H3,(H,24,26)
InChIKeyKRULNUHOXTYXCL-UHFFFAOYSA-N
XLogP4.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-difluorophenyl)methyl]-4-[3-(4-methoxyphenyl)propyl]-4-methylimidazolidin-2-one?
The IUPAC name of 1-[(3,5-difluorophenyl)methyl]-4-[3-(4-methoxyphenyl)propyl]-4-methylimidazolidin-2-one (CID 142249659) is 1-[(3,5-difluorophenyl)methyl]-4-[3-(4-methoxyphenyl)propyl]-4-methylimidazolidin-2-one.
What is the SMILES notation for 1-[(3,5-difluorophenyl)methyl]-4-[3-(4-methoxyphenyl)propyl]-4-methylimidazolidin-2-one?
The canonical SMILES for 1-[(3,5-difluorophenyl)methyl]-4-[3-(4-methoxyphenyl)propyl]-4-methylimidazolidin-2-one is COc1ccc(CCCC2(C)CN(Cc3cc(F)cc(F)c3)C(=O)N2)cc1.
What is the InChIKey of 1-[(3,5-difluorophenyl)methyl]-4-[3-(4-methoxyphenyl)propyl]-4-methylimidazolidin-2-one?
The InChIKey is KRULNUHOXTYXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N2O2/c1-21(9-3-4-15-5-7-19(27-2)8-6-15)14-25(20(26)24-21)13-16-10-17(22)12-18(23)11-16/h5-8,10-12H,3-4,9,13-14H2,1-2H3,(H,24,26).
What are the key properties of 1-[(3,5-difluorophenyl)methyl]-4-[3-(4-methoxyphenyl)propyl]-4-methylimidazolidin-2-one?
1-[(3,5-difluorophenyl)methyl]-4-[3-(4-methoxyphenyl)propyl]-4-methylimidazolidin-2-one has a molecular weight of 374.43 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-difluorophenyl)methyl]-4-[3-(4-methoxyphenyl)propyl]-4-methylimidazolidin-2-one is sourced from PubChem (CID 142249659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).