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

C22H21F6N3O3 — CID 157262734

IUPAC(4S)-3-[2-oxo-3-[4-(trifluoromethoxy)phenyl]propyl]-4-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-2-one
SMILESCC(C)[C@H]1CN(c2ccc(C(F)(F)F)nc2)C(=O)N1CC(=O)Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C22H21F6N3O3/c1-13(2)18-12-30(15-5-8-19(29-10-15)21(23,24)25)20(33)31(18)11-16(32)9-14-3-6-17(7-4-14)34-22(26,27)28/h3-8,10,13,18H,9,11-12H2,1-2H3/t18-/m1/s1
InChIKeyAXQMXGNTIJKGIF-GOSISDBHSA-N
MW489.42 g/mol
LogP5.08
Rot. Bonds7

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

(4S)-3-[2-oxo-3-[4-(trifluoromethoxy)phenyl]propyl]-4-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-2-one (PubChem CID 157262734) has the molecular formula C22H21F6N3O3 and a molecular weight of 489.42 g/mol. Its IUPAC name is (4S)-3-[2-oxo-3-[4-(trifluoromethoxy)phenyl]propyl]-4-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[2-oxo-3-[4-(trifluoromethoxy)phenyl]propyl]-4-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-2-one
PubChem CID157262734
Molecular FormulaC22H21F6N3O3
Molecular Weight489.42 g/mol
Exact Mass489.15
IUPAC Name(4S)-3-[2-oxo-3-[4-(trifluoromethoxy)phenyl]propyl]-4-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-2-one
SMILESCC(C)[C@H]1CN(c2ccc(C(F)(F)F)nc2)C(=O)N1CC(=O)Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C22H21F6N3O3/c1-13(2)18-12-30(15-5-8-19(29-10-15)21(23,24)25)20(33)31(18)11-16(32)9-14-3-6-17(7-4-14)34-22(26,27)28/h3-8,10,13,18H,9,11-12H2,1-2H3/t18-/m1/s1
InChIKeyAXQMXGNTIJKGIF-GOSISDBHSA-N
XLogP5.08
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.42
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(3-methylphenyl)-2-oxopropyl]-4-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-2-one
CID 159192742
6-[2-oxo-3-[(5S)-2-oxo-5-propan-2-yl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]propyl]pyridine-3-carbonitrile
CID 159019886
5-[(4S)-2-oxo-3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-4-propan-2-ylimidazolidin-1-yl]pyridine-2-carbonitrile
CID 157083720
2-[(5S)-2-oxo-5-propan-2-yl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]-N-(3-sulfamoylphenyl)acetamide
CID 90321896
2-[(4S)-2-oxo-3-[2-oxo-2-[3-(trifluoromethoxy)phenyl]ethyl]-4-propan-2-ylimidazolidin-1-yl]pyrimidine-5-carbonitrile
CID 73055409
2-[(5S)-3-(6-cyano-3-pyridinyl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 86705190
2-[(5S)-2-oxo-5-propan-2-yl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 90321883
4-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-2-one
CID 86705189
4-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-one
CID 62622266
2-[(5S)-2-oxo-5-propan-2-yl-3-[2-(trifluoromethyl)pyrimidin-5-yl]imidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide
CID 90321890
N-(6-chloro-5-methyl-3-pyridinyl)-2-[(5S)-5-(2-methylpropyl)-2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]acetamide
CID 90321953
(4S)-4-tert-butyl-1-(6-ethyl-3-pyridinyl)-3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]imidazolidin-2-one
CID 157256357

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[2-oxo-3-[4-(trifluoromethoxy)phenyl]propyl]-4-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-2-one?
The IUPAC name of (4S)-3-[2-oxo-3-[4-(trifluoromethoxy)phenyl]propyl]-4-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-2-one (CID 157262734) is (4S)-3-[2-oxo-3-[4-(trifluoromethoxy)phenyl]propyl]-4-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-2-one.
What is the SMILES notation for (4S)-3-[2-oxo-3-[4-(trifluoromethoxy)phenyl]propyl]-4-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-2-one?
The canonical SMILES for (4S)-3-[2-oxo-3-[4-(trifluoromethoxy)phenyl]propyl]-4-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-2-one is CC(C)[C@H]1CN(c2ccc(C(F)(F)F)nc2)C(=O)N1CC(=O)Cc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of (4S)-3-[2-oxo-3-[4-(trifluoromethoxy)phenyl]propyl]-4-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-2-one?
The InChIKey is AXQMXGNTIJKGIF-GOSISDBHSA-N. The full InChI is InChI=1S/C22H21F6N3O3/c1-13(2)18-12-30(15-5-8-19(29-10-15)21(23,24)25)20(33)31(18)11-16(32)9-14-3-6-17(7-4-14)34-22(26,27)28/h3-8,10,13,18H,9,11-12H2,1-2H3/t18-/m1/s1.
What are the key properties of (4S)-3-[2-oxo-3-[4-(trifluoromethoxy)phenyl]propyl]-4-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-2-one?
(4S)-3-[2-oxo-3-[4-(trifluoromethoxy)phenyl]propyl]-4-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-2-one has a molecular weight of 489.42 g/mol, XLogP of 5.08, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[2-oxo-3-[4-(trifluoromethoxy)phenyl]propyl]-4-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-2-one is sourced from PubChem (CID 157262734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).