(4R)-1-(5-chloropyrimidin-2-yl)-4-[(1S)-1-fluoropropyl]-3-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]imidazolidin-2-one

C19H18ClF4N5O2 — CID 159231276

About (4R)-1-(5-chloropyrimidin-2-yl)-4-[(1S)-1-fluoropropyl]-3-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]imidazolidin-2-one

(4R)-1-(5-chloropyrimidin-2-yl)-4-[(1S)-1-fluoropropyl]-3-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]imidazolidin-2-one (PubChem CID 159231276) has the molecular formula C19H18ClF4N5O2 and a molecular weight of 459.83 g/mol. Its IUPAC name is (4R)-1-(5-chloropyrimidin-2-yl)-4-[(1S)-1-fluoropropyl]-3-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]imidazolidin-2-one.

Molecular Properties

• Compound Name: (4R)-1-(5-chloropyrimidin-2-yl)-4-[(1S)-1-fluoropropyl]-3-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]imidazolidin-2-one
• PubChem CID: 159231276
• Molecular Formula: C19H18ClF4N5O2
• Molecular Weight: 459.83 g/mol
• Exact Mass: 459.11
• IUPAC Name: (4R)-1-(5-chloropyrimidin-2-yl)-4-[(1S)-1-fluoropropyl]-3-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]imidazolidin-2-one
• SMILES: CC[C@H](F)[C@H]1CN(c2ncc(Cl)cn2)C(=O)N1CC(=O)Cc1cc(C(F)(F)F)ccn1
• InChI: InChI=1S/C19H18ClF4N5O2/c1-2-15(21)16-10-29(17-26-7-12(20)8-27-17)18(31)28(16)9-14(30)6-13-5-11(3-4-25-13)19(22,23)24/h3-5,7-8,15-16H,2,6,9-10H2,1H3/t15-,16+/m0/s1
• InChIKey: KSXVZIIJZXRYGU-JKSUJKDBSA-N
• XLogP: 3.71
• TPSA: 79.29 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.83
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(5-chloropyrimidin-2-yl)-4-[(1S)-1-fluoropropyl]-3-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]imidazolidin-2-one?

The IUPAC name of (4R)-1-(5-chloropyrimidin-2-yl)-4-[(1S)-1-fluoropropyl]-3-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]imidazolidin-2-one (CID 159231276) is (4R)-1-(5-chloropyrimidin-2-yl)-4-[(1S)-1-fluoropropyl]-3-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]imidazolidin-2-one.

What is the SMILES notation for (4R)-1-(5-chloropyrimidin-2-yl)-4-[(1S)-1-fluoropropyl]-3-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]imidazolidin-2-one?

The canonical SMILES for (4R)-1-(5-chloropyrimidin-2-yl)-4-[(1S)-1-fluoropropyl]-3-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]imidazolidin-2-one is CC[C@H](F)[C@H]1CN(c2ncc(Cl)cn2)C(=O)N1CC(=O)Cc1cc(C(F)(F)F)ccn1.

What is the InChIKey of (4R)-1-(5-chloropyrimidin-2-yl)-4-[(1S)-1-fluoropropyl]-3-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]imidazolidin-2-one?

The InChIKey is KSXVZIIJZXRYGU-JKSUJKDBSA-N. The full InChI is InChI=1S/C19H18ClF4N5O2/c1-2-15(21)16-10-29(17-26-7-12(20)8-27-17)18(31)28(16)9-14(30)6-13-5-11(3-4-25-13)19(22,23)24/h3-5,7-8,15-16H,2,6,9-10H2,1H3/t15-,16+/m0/s1.

What are the key properties of (4R)-1-(5-chloropyrimidin-2-yl)-4-[(1S)-1-fluoropropyl]-3-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]imidazolidin-2-one?

(4R)-1-(5-chloropyrimidin-2-yl)-4-[(1S)-1-fluoropropyl]-3-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]imidazolidin-2-one has a molecular weight of 459.83 g/mol, XLogP of 3.71, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-1-(5-chloropyrimidin-2-yl)-4-[(1S)-1-fluoropropyl]-3-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]imidazolidin-2-one is sourced from PubChem (CID 159231276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).