(4S)-3-[2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-4-propan-2-yl-1-[5-(trifluoromethyl)pyrimidin-2-yl]imidazolidin-2-one

C20H19F6N5O2 — CID 158867717

IUPAC(4S)-3-[2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-4-propan-2-yl-1-[5-(trifluoromethyl)pyrimidin-2-yl]imidazolidin-2-one
SMILESCC(C)[C@H]1CN(c2ncc(C(F)(F)F)cn2)C(=O)N1CC(=O)Cc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C20H19F6N5O2/c1-11(2)15-10-31(17-28-7-13(8-29-17)19(21,22)23)18(33)30(15)9-14(32)5-12-3-4-16(27-6-12)20(24,25)26/h3-4,6-8,11,15H,5,9-10H2,1-2H3/t15-/m1/s1
InChIKeyJBLJLEJBYBSZHS-OAHLLOKOSA-N
MW475.39 g/mol
LogP3.99
Rot. Bonds6

About (4S)-3-[2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-4-propan-2-yl-1-[5-(trifluoromethyl)pyrimidin-2-yl]imidazolidin-2-one

(4S)-3-[2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-4-propan-2-yl-1-[5-(trifluoromethyl)pyrimidin-2-yl]imidazolidin-2-one (PubChem CID 158867717) has the molecular formula C20H19F6N5O2 and a molecular weight of 475.39 g/mol. Its IUPAC name is (4S)-3-[2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-4-propan-2-yl-1-[5-(trifluoromethyl)pyrimidin-2-yl]imidazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-4-propan-2-yl-1-[5-(trifluoromethyl)pyrimidin-2-yl]imidazolidin-2-one
PubChem CID158867717
Molecular FormulaC20H19F6N5O2
Molecular Weight475.39 g/mol
Exact Mass475.14
IUPAC Name(4S)-3-[2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-4-propan-2-yl-1-[5-(trifluoromethyl)pyrimidin-2-yl]imidazolidin-2-one
SMILESCC(C)[C@H]1CN(c2ncc(C(F)(F)F)cn2)C(=O)N1CC(=O)Cc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C20H19F6N5O2/c1-11(2)15-10-31(17-28-7-13(8-29-17)19(21,22)23)18(33)30(15)9-14(32)5-12-3-4-16(27-6-12)20(24,25)26/h3-4,6-8,11,15H,5,9-10H2,1-2H3/t15-/m1/s1
InChIKeyJBLJLEJBYBSZHS-OAHLLOKOSA-N
XLogP3.99
TPSA79.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.39
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-4-propan-2-yl-1-[5-(trifluoromethyl)pyrimidin-2-yl]imidazolidin-2-one?
The IUPAC name of (4S)-3-[2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-4-propan-2-yl-1-[5-(trifluoromethyl)pyrimidin-2-yl]imidazolidin-2-one (CID 158867717) is (4S)-3-[2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-4-propan-2-yl-1-[5-(trifluoromethyl)pyrimidin-2-yl]imidazolidin-2-one.
What is the SMILES notation for (4S)-3-[2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-4-propan-2-yl-1-[5-(trifluoromethyl)pyrimidin-2-yl]imidazolidin-2-one?
The canonical SMILES for (4S)-3-[2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-4-propan-2-yl-1-[5-(trifluoromethyl)pyrimidin-2-yl]imidazolidin-2-one is CC(C)[C@H]1CN(c2ncc(C(F)(F)F)cn2)C(=O)N1CC(=O)Cc1ccc(C(F)(F)F)nc1.
What is the InChIKey of (4S)-3-[2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-4-propan-2-yl-1-[5-(trifluoromethyl)pyrimidin-2-yl]imidazolidin-2-one?
The InChIKey is JBLJLEJBYBSZHS-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H19F6N5O2/c1-11(2)15-10-31(17-28-7-13(8-29-17)19(21,22)23)18(33)30(15)9-14(32)5-12-3-4-16(27-6-12)20(24,25)26/h3-4,6-8,11,15H,5,9-10H2,1-2H3/t15-/m1/s1.
What are the key properties of (4S)-3-[2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-4-propan-2-yl-1-[5-(trifluoromethyl)pyrimidin-2-yl]imidazolidin-2-one?
(4S)-3-[2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-4-propan-2-yl-1-[5-(trifluoromethyl)pyrimidin-2-yl]imidazolidin-2-one has a molecular weight of 475.39 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-4-propan-2-yl-1-[5-(trifluoromethyl)pyrimidin-2-yl]imidazolidin-2-one is sourced from PubChem (CID 158867717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).