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

C41H36F2N2O — CID 10531800

IUPAC(4S,5S)-4,5-bis[(1S)-1-fluoro-2-phenylethyl]-1,3-bis(naphthalen-2-ylmethyl)imidazolidin-2-one
SMILESO=C1N(Cc2ccc3ccccc3c2)[C@H]([C@@H](F)Cc2ccccc2)[C@@H]([C@@H](F)Cc2ccccc2)N1Cc1ccc2ccccc2c1
InChIInChI=1S/C41H36F2N2O/c42-37(25-29-11-3-1-4-12-29)39-40(38(43)26-30-13-5-2-6-14-30)45(28-32-20-22-34-16-8-10-18-36(34)24-32)41(46)44(39)27-31-19-21-33-15-7-9-17-35(33)23-31/h1-24,37-40H,25-28H2/t37-,38-,39+,40+/m0/s1
InChIKeyXIKLAXVAYRGSBC-JPYDVTDNSA-N
MW610.75 g/mol
LogP9.33
Rot. Bonds10

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

(4S,5S)-4,5-bis[(1S)-1-fluoro-2-phenylethyl]-1,3-bis(naphthalen-2-ylmethyl)imidazolidin-2-one (PubChem CID 10531800) has the molecular formula C41H36F2N2O and a molecular weight of 610.75 g/mol. Its IUPAC name is (4S,5S)-4,5-bis[(1S)-1-fluoro-2-phenylethyl]-1,3-bis(naphthalen-2-ylmethyl)imidazolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-4,5-bis[(1S)-1-fluoro-2-phenylethyl]-1,3-bis(naphthalen-2-ylmethyl)imidazolidin-2-one
PubChem CID10531800
Molecular FormulaC41H36F2N2O
Molecular Weight610.75 g/mol
Exact Mass610.28
IUPAC Name(4S,5S)-4,5-bis[(1S)-1-fluoro-2-phenylethyl]-1,3-bis(naphthalen-2-ylmethyl)imidazolidin-2-one
SMILESO=C1N(Cc2ccc3ccccc3c2)[C@H]([C@@H](F)Cc2ccccc2)[C@@H]([C@@H](F)Cc2ccccc2)N1Cc1ccc2ccccc2c1
InChIInChI=1S/C41H36F2N2O/c42-37(25-29-11-3-1-4-12-29)39-40(38(43)26-30-13-5-2-6-14-30)45(28-32-20-22-34-16-8-10-18-36(34)24-32)41(46)44(39)27-31-19-21-33-15-7-9-17-35(33)23-31/h1-24,37-40H,25-28H2/t37-,38-,39+,40+/m0/s1
InChIKeyXIKLAXVAYRGSBC-JPYDVTDNSA-N
XLogP9.33
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 ≤ 59.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (4S,5S)-4,5-bis[(1S)-1-fluoro-2-phenylethyl]-1,3-bis(naphthalen-2-ylmethyl)imidazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4,5-bis[(1S)-1-fluoro-2-phenylethyl]-1,3-bis(naphthalen-2-ylmethyl)imidazolidin-2-one?
The IUPAC name of (4S,5S)-4,5-bis[(1S)-1-fluoro-2-phenylethyl]-1,3-bis(naphthalen-2-ylmethyl)imidazolidin-2-one (CID 10531800) is (4S,5S)-4,5-bis[(1S)-1-fluoro-2-phenylethyl]-1,3-bis(naphthalen-2-ylmethyl)imidazolidin-2-one.
What is the SMILES notation for (4S,5S)-4,5-bis[(1S)-1-fluoro-2-phenylethyl]-1,3-bis(naphthalen-2-ylmethyl)imidazolidin-2-one?
The canonical SMILES for (4S,5S)-4,5-bis[(1S)-1-fluoro-2-phenylethyl]-1,3-bis(naphthalen-2-ylmethyl)imidazolidin-2-one is O=C1N(Cc2ccc3ccccc3c2)[C@H]([C@@H](F)Cc2ccccc2)[C@@H]([C@@H](F)Cc2ccccc2)N1Cc1ccc2ccccc2c1.
What is the InChIKey of (4S,5S)-4,5-bis[(1S)-1-fluoro-2-phenylethyl]-1,3-bis(naphthalen-2-ylmethyl)imidazolidin-2-one?
The InChIKey is XIKLAXVAYRGSBC-JPYDVTDNSA-N. The full InChI is InChI=1S/C41H36F2N2O/c42-37(25-29-11-3-1-4-12-29)39-40(38(43)26-30-13-5-2-6-14-30)45(28-32-20-22-34-16-8-10-18-36(34)24-32)41(46)44(39)27-31-19-21-33-15-7-9-17-35(33)23-31/h1-24,37-40H,25-28H2/t37-,38-,39+,40+/m0/s1.
What are the key properties of (4S,5S)-4,5-bis[(1S)-1-fluoro-2-phenylethyl]-1,3-bis(naphthalen-2-ylmethyl)imidazolidin-2-one?
(4S,5S)-4,5-bis[(1S)-1-fluoro-2-phenylethyl]-1,3-bis(naphthalen-2-ylmethyl)imidazolidin-2-one has a molecular weight of 610.75 g/mol, XLogP of 9.33, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4,5-bis[(1S)-1-fluoro-2-phenylethyl]-1,3-bis(naphthalen-2-ylmethyl)imidazolidin-2-one is sourced from PubChem (CID 10531800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).