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

C11H12F2N2O — CID 141068012

IUPAC1-[(3,4-difluorophenyl)methyl]-3-methylimidazolidin-2-one
SMILESCN1CCN(Cc2ccc(F)c(F)c2)C1=O
InChIInChI=1S/C11H12F2N2O/c1-14-4-5-15(11(14)16)7-8-2-3-9(12)10(13)6-8/h2-3,6H,4-5,7H2,1H3
InChIKeyCBEFZZGZLOQWLC-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.83
Rot. Bonds2

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

1-[(3,4-difluorophenyl)methyl]-3-methylimidazolidin-2-one (PubChem CID 141068012) has the molecular formula C11H12F2N2O and a molecular weight of 226.23 g/mol. Its IUPAC name is 1-[(3,4-difluorophenyl)methyl]-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[(3,4-difluorophenyl)methyl]-3-methylimidazolidin-2-one
PubChem CID141068012
Molecular FormulaC11H12F2N2O
Molecular Weight226.23 g/mol
Exact Mass226.09
IUPAC Name1-[(3,4-difluorophenyl)methyl]-3-methylimidazolidin-2-one
SMILESCN1CCN(Cc2ccc(F)c(F)c2)C1=O
InChIInChI=1S/C11H12F2N2O/c1-14-4-5-15(11(14)16)7-8-2-3-9(12)10(13)6-8/h2-3,6H,4-5,7H2,1H3
InChIKeyCBEFZZGZLOQWLC-UHFFFAOYSA-N
XLogP1.83
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-difluorophenyl)methyl]-3-methylimidazolidin-2-one?
The IUPAC name of 1-[(3,4-difluorophenyl)methyl]-3-methylimidazolidin-2-one (CID 141068012) is 1-[(3,4-difluorophenyl)methyl]-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-[(3,4-difluorophenyl)methyl]-3-methylimidazolidin-2-one?
The canonical SMILES for 1-[(3,4-difluorophenyl)methyl]-3-methylimidazolidin-2-one is CN1CCN(Cc2ccc(F)c(F)c2)C1=O.
What is the InChIKey of 1-[(3,4-difluorophenyl)methyl]-3-methylimidazolidin-2-one?
The InChIKey is CBEFZZGZLOQWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O/c1-14-4-5-15(11(14)16)7-8-2-3-9(12)10(13)6-8/h2-3,6H,4-5,7H2,1H3.
What are the key properties of 1-[(3,4-difluorophenyl)methyl]-3-methylimidazolidin-2-one?
1-[(3,4-difluorophenyl)methyl]-3-methylimidazolidin-2-one has a molecular weight of 226.23 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-difluorophenyl)methyl]-3-methylimidazolidin-2-one is sourced from PubChem (CID 141068012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).