(4S)-4-tert-butyl-1-(6-ethyl-3-pyridinyl)-3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]imidazolidin-2-one

C24H28F3N3O2 — CID 157256357

IUPAC(4S)-4-tert-butyl-1-(6-ethyl-3-pyridinyl)-3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]imidazolidin-2-one
SMILESCCc1ccc(N2C[C@H](C(C)(C)C)N(CC(=O)Cc3cccc(C(F)(F)F)c3)C2=O)cn1
InChIInChI=1S/C24H28F3N3O2/c1-5-18-9-10-19(13-28-18)29-15-21(23(2,3)4)30(22(29)32)14-20(31)12-16-7-6-8-17(11-16)24(25,26)27/h6-11,13,21H,5,12,14-15H2,1-4H3/t21-/m1/s1
InChIKeyAWYABOUZLQMOJZ-OAQYLSRUSA-N
MW447.50 g/mol
LogP5.13
Rot. Bonds6

About (4S)-4-tert-butyl-1-(6-ethyl-3-pyridinyl)-3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]imidazolidin-2-one

(4S)-4-tert-butyl-1-(6-ethyl-3-pyridinyl)-3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]imidazolidin-2-one (PubChem CID 157256357) has the molecular formula C24H28F3N3O2 and a molecular weight of 447.50 g/mol. Its IUPAC name is (4S)-4-tert-butyl-1-(6-ethyl-3-pyridinyl)-3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]imidazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-tert-butyl-1-(6-ethyl-3-pyridinyl)-3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]imidazolidin-2-one
PubChem CID157256357
Molecular FormulaC24H28F3N3O2
Molecular Weight447.50 g/mol
Exact Mass447.21
IUPAC Name(4S)-4-tert-butyl-1-(6-ethyl-3-pyridinyl)-3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]imidazolidin-2-one
SMILESCCc1ccc(N2C[C@H](C(C)(C)C)N(CC(=O)Cc3cccc(C(F)(F)F)c3)C2=O)cn1
InChIInChI=1S/C24H28F3N3O2/c1-5-18-9-10-19(13-28-18)29-15-21(23(2,3)4)30(22(29)32)14-20(31)12-16-7-6-8-17(11-16)24(25,26)27/h6-11,13,21H,5,12,14-15H2,1-4H3/t21-/m1/s1
InChIKeyAWYABOUZLQMOJZ-OAQYLSRUSA-N
XLogP5.13
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.50
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-tert-butyl-1-(6-ethyl-3-pyridinyl)-3-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]imidazolidin-2-one
CID 149014354
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)-5-tert-butyl-2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide
CID 90321893
3-[3-(3-methylphenyl)-2-oxopropyl]-4-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-2-one
CID 159192742
2-[(5S)-5-tert-butyl-3-(6-cyano-3-pyridinyl)-2-oxoimidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide
CID 90321792
2-[(5S)-5-tert-butyl-2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]-N-(4-chloro-2-pyridinyl)acetamide
CID 90321897
2-[(5S)-2-oxo-5-propyl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 90321970
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
(4S)-3-[2-oxo-3-[4-(trifluoromethoxy)phenyl]propyl]-4-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-2-one
CID 157262734
(4R)-1-(5-chloropyrimidin-2-yl)-4-[(1S)-1-fluoropropyl]-3-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]imidazolidin-2-one
CID 159231276
4-ethyl-1-[3-(trifluoromethyl)phenyl]hexan-2-one
CID 82920013
2-[(5S)-3-(6-cyano-3-pyridinyl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 86705190

Frequently Asked Questions

What is the IUPAC name of (4S)-4-tert-butyl-1-(6-ethyl-3-pyridinyl)-3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]imidazolidin-2-one?
The IUPAC name of (4S)-4-tert-butyl-1-(6-ethyl-3-pyridinyl)-3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]imidazolidin-2-one (CID 157256357) is (4S)-4-tert-butyl-1-(6-ethyl-3-pyridinyl)-3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]imidazolidin-2-one.
What is the SMILES notation for (4S)-4-tert-butyl-1-(6-ethyl-3-pyridinyl)-3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]imidazolidin-2-one?
The canonical SMILES for (4S)-4-tert-butyl-1-(6-ethyl-3-pyridinyl)-3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]imidazolidin-2-one is CCc1ccc(N2C[C@H](C(C)(C)C)N(CC(=O)Cc3cccc(C(F)(F)F)c3)C2=O)cn1.
What is the InChIKey of (4S)-4-tert-butyl-1-(6-ethyl-3-pyridinyl)-3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]imidazolidin-2-one?
The InChIKey is AWYABOUZLQMOJZ-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H28F3N3O2/c1-5-18-9-10-19(13-28-18)29-15-21(23(2,3)4)30(22(29)32)14-20(31)12-16-7-6-8-17(11-16)24(25,26)27/h6-11,13,21H,5,12,14-15H2,1-4H3/t21-/m1/s1.
What are the key properties of (4S)-4-tert-butyl-1-(6-ethyl-3-pyridinyl)-3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]imidazolidin-2-one?
(4S)-4-tert-butyl-1-(6-ethyl-3-pyridinyl)-3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]imidazolidin-2-one has a molecular weight of 447.50 g/mol, XLogP of 5.13, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-tert-butyl-1-(6-ethyl-3-pyridinyl)-3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]imidazolidin-2-one is sourced from PubChem (CID 157256357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).