1-[(3S,5S)-5-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-5-phenylpyrrolidin-3-yl]imidazolidin-2-one

C24H25F6N3O2 — CID 10152350

About 1-[(3S,5S)-5-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-5-phenylpyrrolidin-3-yl]imidazolidin-2-one

1-[(3S,5S)-5-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-5-phenylpyrrolidin-3-yl]imidazolidin-2-one (PubChem CID 10152350) has the molecular formula C24H25F6N3O2 and a molecular weight of 501.47 g/mol. Its IUPAC name is 1-[(3S,5S)-5-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-5-phenylpyrrolidin-3-yl]imidazolidin-2-one.

Molecular Properties

• Compound Name: 1-[(3S,5S)-5-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-5-phenylpyrrolidin-3-yl]imidazolidin-2-one
• PubChem CID: 10152350
• Molecular Formula: C24H25F6N3O2
• Molecular Weight: 501.47 g/mol
• Exact Mass: 501.19
• IUPAC Name: 1-[(3S,5S)-5-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-5-phenylpyrrolidin-3-yl]imidazolidin-2-one
• SMILES: C[C@@H](OC[C@@]1(c2ccccc2)C[C@H](N2CCNC2=O)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
• InChI: InChI=1S/C24H25F6N3O2/c1-15(16-9-18(23(25,26)27)11-19(10-16)24(28,29)30)35-14-22(17-5-3-2-4-6-17)12-20(13-32-22)33-8-7-31-21(33)34/h2-6,9-11,15,20,32H,7-8,12-14H2,1H3,(H,31,34)/t15-,20+,22-/m1/s1
• InChIKey: SPHKLYWRSTURGB-UPKQVVFYSA-N
• XLogP: 5.08
• TPSA: 53.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	501.47
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-[(3S,5S)-5-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-5-phenylpyrrolidin-3-yl]imidazolidin-2-one?

The IUPAC name of 1-[(3S,5S)-5-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-5-phenylpyrrolidin-3-yl]imidazolidin-2-one (CID 10152350) is 1-[(3S,5S)-5-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-5-phenylpyrrolidin-3-yl]imidazolidin-2-one.

What is the SMILES notation for 1-[(3S,5S)-5-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-5-phenylpyrrolidin-3-yl]imidazolidin-2-one?

The canonical SMILES for 1-[(3S,5S)-5-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-5-phenylpyrrolidin-3-yl]imidazolidin-2-one is C[C@@H](OC[C@@]1(c2ccccc2)C[C@H](N2CCNC2=O)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.

What is the InChIKey of 1-[(3S,5S)-5-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-5-phenylpyrrolidin-3-yl]imidazolidin-2-one?

The InChIKey is SPHKLYWRSTURGB-UPKQVVFYSA-N. The full InChI is InChI=1S/C24H25F6N3O2/c1-15(16-9-18(23(25,26)27)11-19(10-16)24(28,29)30)35-14-22(17-5-3-2-4-6-17)12-20(13-32-22)33-8-7-31-21(33)34/h2-6,9-11,15,20,32H,7-8,12-14H2,1H3,(H,31,34)/t15-,20+,22-/m1/s1.

What are the key properties of 1-[(3S,5S)-5-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-5-phenylpyrrolidin-3-yl]imidazolidin-2-one?

1-[(3S,5S)-5-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-5-phenylpyrrolidin-3-yl]imidazolidin-2-one has a molecular weight of 501.47 g/mol, XLogP of 5.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3S,5S)-5-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-5-phenylpyrrolidin-3-yl]imidazolidin-2-one is sourced from PubChem (CID 10152350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).