3-(cyclopropylmethyl)-2-(2,4-difluorophenyl)imidazolidin-4-one

C13H14F2N2O — CID 83251333

IUPAC3-(cyclopropylmethyl)-2-(2,4-difluorophenyl)imidazolidin-4-one
SMILESO=C1CNC(c2ccc(F)cc2F)N1CC1CC1
InChIInChI=1S/C13H14F2N2O/c14-9-3-4-10(11(15)5-9)13-16-6-12(18)17(13)7-8-1-2-8/h3-5,8,13,16H,1-2,6-7H2
InChIKeyRFGIOAGVKGKXBC-UHFFFAOYSA-N
MW252.26 g/mol
LogP1.81
Rot. Bonds3

About 3-(cyclopropylmethyl)-2-(2,4-difluorophenyl)imidazolidin-4-one

3-(cyclopropylmethyl)-2-(2,4-difluorophenyl)imidazolidin-4-one (PubChem CID 83251333) has the molecular formula C13H14F2N2O and a molecular weight of 252.26 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-2-(2,4-difluorophenyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-2-(2,4-difluorophenyl)imidazolidin-4-one
PubChem CID83251333
Molecular FormulaC13H14F2N2O
Molecular Weight252.26 g/mol
Exact Mass252.11
IUPAC Name3-(cyclopropylmethyl)-2-(2,4-difluorophenyl)imidazolidin-4-one
SMILESO=C1CNC(c2ccc(F)cc2F)N1CC1CC1
InChIInChI=1S/C13H14F2N2O/c14-9-3-4-10(11(15)5-9)13-16-6-12(18)17(13)7-8-1-2-8/h3-5,8,13,16H,1-2,6-7H2
InChIKeyRFGIOAGVKGKXBC-UHFFFAOYSA-N
XLogP1.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-2-(2,4-difluorophenyl)imidazolidin-4-one?
The IUPAC name of 3-(cyclopropylmethyl)-2-(2,4-difluorophenyl)imidazolidin-4-one (CID 83251333) is 3-(cyclopropylmethyl)-2-(2,4-difluorophenyl)imidazolidin-4-one.
What is the SMILES notation for 3-(cyclopropylmethyl)-2-(2,4-difluorophenyl)imidazolidin-4-one?
The canonical SMILES for 3-(cyclopropylmethyl)-2-(2,4-difluorophenyl)imidazolidin-4-one is O=C1CNC(c2ccc(F)cc2F)N1CC1CC1.
What is the InChIKey of 3-(cyclopropylmethyl)-2-(2,4-difluorophenyl)imidazolidin-4-one?
The InChIKey is RFGIOAGVKGKXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O/c14-9-3-4-10(11(15)5-9)13-16-6-12(18)17(13)7-8-1-2-8/h3-5,8,13,16H,1-2,6-7H2.
What are the key properties of 3-(cyclopropylmethyl)-2-(2,4-difluorophenyl)imidazolidin-4-one?
3-(cyclopropylmethyl)-2-(2,4-difluorophenyl)imidazolidin-4-one has a molecular weight of 252.26 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-2-(2,4-difluorophenyl)imidazolidin-4-one is sourced from PubChem (CID 83251333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).