4,5-bis(2-fluoro-2-phenylethyl)-1,3-bis(naphthalen-2-ylmethyl)imidazolidin-2-one

C41H36F2N2O — CID 67672960

IUPAC4,5-bis(2-fluoro-2-phenylethyl)-1,3-bis(naphthalen-2-ylmethyl)imidazolidin-2-one
SMILESO=C1N(Cc2ccc3ccccc3c2)C(CC(F)c2ccccc2)C(CC(F)c2ccccc2)N1Cc1ccc2ccccc2c1
InChIInChI=1S/C41H36F2N2O/c42-37(33-13-3-1-4-14-33)25-39-40(26-38(43)34-15-5-2-6-16-34)45(28-30-20-22-32-12-8-10-18-36(32)24-30)41(46)44(39)27-29-19-21-31-11-7-9-17-35(31)23-29/h1-24,37-40H,25-28H2
InChIKeyWESFHXUHBMPKRR-UHFFFAOYSA-N
MW610.75 g/mol
LogP10.37
Rot. Bonds10

About 4,5-bis(2-fluoro-2-phenylethyl)-1,3-bis(naphthalen-2-ylmethyl)imidazolidin-2-one

4,5-bis(2-fluoro-2-phenylethyl)-1,3-bis(naphthalen-2-ylmethyl)imidazolidin-2-one (PubChem CID 67672960) has the molecular formula C41H36F2N2O and a molecular weight of 610.75 g/mol. Its IUPAC name is 4,5-bis(2-fluoro-2-phenylethyl)-1,3-bis(naphthalen-2-ylmethyl)imidazolidin-2-one.

Molecular Properties

Compound Name4,5-bis(2-fluoro-2-phenylethyl)-1,3-bis(naphthalen-2-ylmethyl)imidazolidin-2-one
PubChem CID67672960
Molecular FormulaC41H36F2N2O
Molecular Weight610.75 g/mol
Exact Mass610.28
IUPAC Name4,5-bis(2-fluoro-2-phenylethyl)-1,3-bis(naphthalen-2-ylmethyl)imidazolidin-2-one
SMILESO=C1N(Cc2ccc3ccccc3c2)C(CC(F)c2ccccc2)C(CC(F)c2ccccc2)N1Cc1ccc2ccccc2c1
InChIInChI=1S/C41H36F2N2O/c42-37(33-13-3-1-4-14-33)25-39-40(26-38(43)34-15-5-2-6-16-34)45(28-30-20-22-32-12-8-10-18-36(32)24-30)41(46)44(39)27-29-19-21-31-11-7-9-17-35(31)23-29/h1-24,37-40H,25-28H2
InChIKeyWESFHXUHBMPKRR-UHFFFAOYSA-N
XLogP10.37
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.75
LogP ≤ 510.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(2-fluoro-2-phenylethyl)-1,3-bis(naphthalen-2-ylmethyl)imidazolidin-2-one?
The IUPAC name of 4,5-bis(2-fluoro-2-phenylethyl)-1,3-bis(naphthalen-2-ylmethyl)imidazolidin-2-one (CID 67672960) is 4,5-bis(2-fluoro-2-phenylethyl)-1,3-bis(naphthalen-2-ylmethyl)imidazolidin-2-one.
What is the SMILES notation for 4,5-bis(2-fluoro-2-phenylethyl)-1,3-bis(naphthalen-2-ylmethyl)imidazolidin-2-one?
The canonical SMILES for 4,5-bis(2-fluoro-2-phenylethyl)-1,3-bis(naphthalen-2-ylmethyl)imidazolidin-2-one is O=C1N(Cc2ccc3ccccc3c2)C(CC(F)c2ccccc2)C(CC(F)c2ccccc2)N1Cc1ccc2ccccc2c1.
What is the InChIKey of 4,5-bis(2-fluoro-2-phenylethyl)-1,3-bis(naphthalen-2-ylmethyl)imidazolidin-2-one?
The InChIKey is WESFHXUHBMPKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H36F2N2O/c42-37(33-13-3-1-4-14-33)25-39-40(26-38(43)34-15-5-2-6-16-34)45(28-30-20-22-32-12-8-10-18-36(32)24-30)41(46)44(39)27-29-19-21-31-11-7-9-17-35(31)23-29/h1-24,37-40H,25-28H2.
What are the key properties of 4,5-bis(2-fluoro-2-phenylethyl)-1,3-bis(naphthalen-2-ylmethyl)imidazolidin-2-one?
4,5-bis(2-fluoro-2-phenylethyl)-1,3-bis(naphthalen-2-ylmethyl)imidazolidin-2-one has a molecular weight of 610.75 g/mol, XLogP of 10.37, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(2-fluoro-2-phenylethyl)-1,3-bis(naphthalen-2-ylmethyl)imidazolidin-2-one is sourced from PubChem (CID 67672960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).