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

C14H16F2N2O — CID 83241965

IUPAC3-cyclopentyl-2-(3,4-difluorophenyl)imidazolidin-4-one
SMILESO=C1CNC(c2ccc(F)c(F)c2)N1C1CCCC1
InChIInChI=1S/C14H16F2N2O/c15-11-6-5-9(7-12(11)16)14-17-8-13(19)18(14)10-3-1-2-4-10/h5-7,10,14,17H,1-4,8H2
InChIKeyMFCYSBJXLXNVPK-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.34
Rot. Bonds2

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

3-cyclopentyl-2-(3,4-difluorophenyl)imidazolidin-4-one (PubChem CID 83241965) has the molecular formula C14H16F2N2O and a molecular weight of 266.29 g/mol. Its IUPAC name is 3-cyclopentyl-2-(3,4-difluorophenyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-cyclopentyl-2-(3,4-difluorophenyl)imidazolidin-4-one
PubChem CID83241965
Molecular FormulaC14H16F2N2O
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Name3-cyclopentyl-2-(3,4-difluorophenyl)imidazolidin-4-one
SMILESO=C1CNC(c2ccc(F)c(F)c2)N1C1CCCC1
InChIInChI=1S/C14H16F2N2O/c15-11-6-5-9(7-12(11)16)14-17-8-13(19)18(14)10-3-1-2-4-10/h5-7,10,14,17H,1-4,8H2
InChIKeyMFCYSBJXLXNVPK-UHFFFAOYSA-N
XLogP2.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-(3,4-difluorophenyl)imidazolidin-4-one?
The IUPAC name of 3-cyclopentyl-2-(3,4-difluorophenyl)imidazolidin-4-one (CID 83241965) is 3-cyclopentyl-2-(3,4-difluorophenyl)imidazolidin-4-one.
What is the SMILES notation for 3-cyclopentyl-2-(3,4-difluorophenyl)imidazolidin-4-one?
The canonical SMILES for 3-cyclopentyl-2-(3,4-difluorophenyl)imidazolidin-4-one is O=C1CNC(c2ccc(F)c(F)c2)N1C1CCCC1.
What is the InChIKey of 3-cyclopentyl-2-(3,4-difluorophenyl)imidazolidin-4-one?
The InChIKey is MFCYSBJXLXNVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O/c15-11-6-5-9(7-12(11)16)14-17-8-13(19)18(14)10-3-1-2-4-10/h5-7,10,14,17H,1-4,8H2.
What are the key properties of 3-cyclopentyl-2-(3,4-difluorophenyl)imidazolidin-4-one?
3-cyclopentyl-2-(3,4-difluorophenyl)imidazolidin-4-one has a molecular weight of 266.29 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-(3,4-difluorophenyl)imidazolidin-4-one is sourced from PubChem (CID 83241965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).