(4S)-4-[3-(5-chloro-6-methyl-2-pyridinyl)-3-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]propanoyl]imidazolidin-2-one

C18H15Cl2F3N4O2 — CID 163862468

About (4S)-4-[3-(5-chloro-6-methyl-2-pyridinyl)-3-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]propanoyl]imidazolidin-2-one

(4S)-4-[3-(5-chloro-6-methyl-2-pyridinyl)-3-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]propanoyl]imidazolidin-2-one (PubChem CID 163862468) has the molecular formula C18H15Cl2F3N4O2 and a molecular weight of 447.24 g/mol. Its IUPAC name is (4S)-4-[3-(5-chloro-6-methyl-2-pyridinyl)-3-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]propanoyl]imidazolidin-2-one.

Molecular Properties

• Compound Name: (4S)-4-[3-(5-chloro-6-methyl-2-pyridinyl)-3-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]propanoyl]imidazolidin-2-one
• PubChem CID: 163862468
• Molecular Formula: C18H15Cl2F3N4O2
• Molecular Weight: 447.24 g/mol
• Exact Mass: 446.05
• IUPAC Name: (4S)-4-[3-(5-chloro-6-methyl-2-pyridinyl)-3-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]propanoyl]imidazolidin-2-one
• SMILES: Cc1nc(C(CC(=O)[C@@H]2CNC(=O)N2)c2cnc(C(F)(F)F)c(Cl)c2)ccc1Cl
• InChI: InChI=1S/C18H15Cl2F3N4O2/c1-8-11(19)2-3-13(26-8)10(5-15(28)14-7-25-17(29)27-14)9-4-12(20)16(24-6-9)18(21,22)23/h2-4,6,10,14H,5,7H2,1H3,(H2,25,27,29)/t10?,14-/m0/s1
• InChIKey: PDTLPKDJIWZVGI-SBNLOKMTSA-N
• XLogP: 3.88
• TPSA: 83.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.24
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[3-(5-chloro-6-methyl-2-pyridinyl)-3-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]propanoyl]imidazolidin-2-one?

The IUPAC name of (4S)-4-[3-(5-chloro-6-methyl-2-pyridinyl)-3-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]propanoyl]imidazolidin-2-one (CID 163862468) is (4S)-4-[3-(5-chloro-6-methyl-2-pyridinyl)-3-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]propanoyl]imidazolidin-2-one.

What is the SMILES notation for (4S)-4-[3-(5-chloro-6-methyl-2-pyridinyl)-3-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]propanoyl]imidazolidin-2-one?

The canonical SMILES for (4S)-4-[3-(5-chloro-6-methyl-2-pyridinyl)-3-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]propanoyl]imidazolidin-2-one is Cc1nc(C(CC(=O)[C@@H]2CNC(=O)N2)c2cnc(C(F)(F)F)c(Cl)c2)ccc1Cl.

What is the InChIKey of (4S)-4-[3-(5-chloro-6-methyl-2-pyridinyl)-3-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]propanoyl]imidazolidin-2-one?

The InChIKey is PDTLPKDJIWZVGI-SBNLOKMTSA-N. The full InChI is InChI=1S/C18H15Cl2F3N4O2/c1-8-11(19)2-3-13(26-8)10(5-15(28)14-7-25-17(29)27-14)9-4-12(20)16(24-6-9)18(21,22)23/h2-4,6,10,14H,5,7H2,1H3,(H2,25,27,29)/t10?,14-/m0/s1.

What are the key properties of (4S)-4-[3-(5-chloro-6-methyl-2-pyridinyl)-3-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]propanoyl]imidazolidin-2-one?

(4S)-4-[3-(5-chloro-6-methyl-2-pyridinyl)-3-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]propanoyl]imidazolidin-2-one has a molecular weight of 447.24 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-4-[3-(5-chloro-6-methyl-2-pyridinyl)-3-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]propanoyl]imidazolidin-2-one is sourced from PubChem (CID 163862468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).