1-[(1S)-1-[4-chloro-3-(trifluoromethyl)phenyl]propyl]-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-2-one

C24H28ClF3N4O — CID 159812162

About 1-[(1S)-1-[4-chloro-3-(trifluoromethyl)phenyl]propyl]-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-2-one

1-[(1S)-1-[4-chloro-3-(trifluoromethyl)phenyl]propyl]-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-2-one (PubChem CID 159812162) has the molecular formula C24H28ClF3N4O and a molecular weight of 480.96 g/mol. Its IUPAC name is 1-[(1S)-1-[4-chloro-3-(trifluoromethyl)phenyl]propyl]-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-2-one.

Molecular Properties

• Compound Name: 1-[(1S)-1-[4-chloro-3-(trifluoromethyl)phenyl]propyl]-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-2-one
• PubChem CID: 159812162
• Molecular Formula: C24H28ClF3N4O
• Molecular Weight: 480.96 g/mol
• Exact Mass: 480.19
• IUPAC Name: 1-[(1S)-1-[4-chloro-3-(trifluoromethyl)phenyl]propyl]-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-2-one
• SMILES: CC[C@@H](c1ccc(Cl)c(C(F)(F)F)c1)N1CCN(CCCc2ccc3c(n2)NCCC3)C1=O
• InChI: InChI=1S/C24H28ClF3N4O/c1-2-21(17-8-10-20(25)19(15-17)24(26,27)28)32-14-13-31(23(32)33)12-4-6-18-9-7-16-5-3-11-29-22(16)30-18/h7-10,15,21H,2-6,11-14H2,1H3,(H,29,30)/t21-/m0/s1
• InChIKey: DVRXKILJSXBTSV-NRFANRHFSA-N
• XLogP: 5.93
• TPSA: 48.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.96
LogP ≤ 5	5.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-[4-chloro-3-(trifluoromethyl)phenyl]propyl]-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-2-one?

The IUPAC name of 1-[(1S)-1-[4-chloro-3-(trifluoromethyl)phenyl]propyl]-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-2-one (CID 159812162) is 1-[(1S)-1-[4-chloro-3-(trifluoromethyl)phenyl]propyl]-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-2-one.

What is the SMILES notation for 1-[(1S)-1-[4-chloro-3-(trifluoromethyl)phenyl]propyl]-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-2-one?

The canonical SMILES for 1-[(1S)-1-[4-chloro-3-(trifluoromethyl)phenyl]propyl]-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-2-one is CC[C@@H](c1ccc(Cl)c(C(F)(F)F)c1)N1CCN(CCCc2ccc3c(n2)NCCC3)C1=O.

What is the InChIKey of 1-[(1S)-1-[4-chloro-3-(trifluoromethyl)phenyl]propyl]-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-2-one?

The InChIKey is DVRXKILJSXBTSV-NRFANRHFSA-N. The full InChI is InChI=1S/C24H28ClF3N4O/c1-2-21(17-8-10-20(25)19(15-17)24(26,27)28)32-14-13-31(23(32)33)12-4-6-18-9-7-16-5-3-11-29-22(16)30-18/h7-10,15,21H,2-6,11-14H2,1H3,(H,29,30)/t21-/m0/s1.

What are the key properties of 1-[(1S)-1-[4-chloro-3-(trifluoromethyl)phenyl]propyl]-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-2-one?

1-[(1S)-1-[4-chloro-3-(trifluoromethyl)phenyl]propyl]-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-2-one has a molecular weight of 480.96 g/mol, XLogP of 5.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(1S)-1-[4-chloro-3-(trifluoromethyl)phenyl]propyl]-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-2-one is sourced from PubChem (CID 159812162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).