1-[4,4-bis(4-fluorophenyl)butyl]-3-methylimidazolidin-2-one

C20H22F2N2O — CID 24737860

IUPAC1-[4,4-bis(4-fluorophenyl)butyl]-3-methylimidazolidin-2-one
SMILESCN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)C1=O
InChIInChI=1S/C20H22F2N2O/c1-23-13-14-24(20(23)25)12-2-3-19(15-4-8-17(21)9-5-15)16-6-10-18(22)11-7-16/h4-11,19H,2-3,12-14H2,1H3
InChIKeySLIIRQXDPZHJST-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.24
Rot. Bonds6

About 1-[4,4-bis(4-fluorophenyl)butyl]-3-methylimidazolidin-2-one

1-[4,4-bis(4-fluorophenyl)butyl]-3-methylimidazolidin-2-one (PubChem CID 24737860) has the molecular formula C20H22F2N2O and a molecular weight of 344.41 g/mol. Its IUPAC name is 1-[4,4-bis(4-fluorophenyl)butyl]-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[4,4-bis(4-fluorophenyl)butyl]-3-methylimidazolidin-2-one
PubChem CID24737860
Molecular FormulaC20H22F2N2O
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name1-[4,4-bis(4-fluorophenyl)butyl]-3-methylimidazolidin-2-one
SMILESCN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)C1=O
InChIInChI=1S/C20H22F2N2O/c1-23-13-14-24(20(23)25)12-2-3-19(15-4-8-17(21)9-5-15)16-6-10-18(22)11-7-16/h4-11,19H,2-3,12-14H2,1H3
InChIKeySLIIRQXDPZHJST-UHFFFAOYSA-N
XLogP4.24
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[4,4-bis(4-fluorophenyl)butyl]-3-methylimidazolidin-2-one?
The IUPAC name of 1-[4,4-bis(4-fluorophenyl)butyl]-3-methylimidazolidin-2-one (CID 24737860) is 1-[4,4-bis(4-fluorophenyl)butyl]-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-[4,4-bis(4-fluorophenyl)butyl]-3-methylimidazolidin-2-one?
The canonical SMILES for 1-[4,4-bis(4-fluorophenyl)butyl]-3-methylimidazolidin-2-one is CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)C1=O.
What is the InChIKey of 1-[4,4-bis(4-fluorophenyl)butyl]-3-methylimidazolidin-2-one?
The InChIKey is SLIIRQXDPZHJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O/c1-23-13-14-24(20(23)25)12-2-3-19(15-4-8-17(21)9-5-15)16-6-10-18(22)11-7-16/h4-11,19H,2-3,12-14H2,1H3.
What are the key properties of 1-[4,4-bis(4-fluorophenyl)butyl]-3-methylimidazolidin-2-one?
1-[4,4-bis(4-fluorophenyl)butyl]-3-methylimidazolidin-2-one has a molecular weight of 344.41 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,4-bis(4-fluorophenyl)butyl]-3-methylimidazolidin-2-one is sourced from PubChem (CID 24737860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).