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

C23H27F3N4O2 — CID 149014354

IUPAC(4S)-4-tert-butyl-1-(6-ethyl-3-pyridinyl)-3-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]imidazolidin-2-one
SMILESCCc1ccc(N2C[C@H](C(C)(C)C)N(CC(=O)Cc3cc(C(F)(F)F)ccn3)C2=O)cn1
InChIInChI=1S/C23H27F3N4O2/c1-5-16-6-7-18(12-28-16)29-14-20(22(2,3)4)30(21(29)32)13-19(31)11-17-10-15(8-9-27-17)23(24,25)26/h6-10,12,20H,5,11,13-14H2,1-4H3/t20-/m1/s1
InChIKeyQCFZATKLHOYKPE-HXUWFJFHSA-N
MW448.49 g/mol
LogP4.53
Rot. Bonds6

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

(4S)-4-tert-butyl-1-(6-ethyl-3-pyridinyl)-3-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]imidazolidin-2-one (PubChem CID 149014354) has the molecular formula C23H27F3N4O2 and a molecular weight of 448.49 g/mol. Its IUPAC name is (4S)-4-tert-butyl-1-(6-ethyl-3-pyridinyl)-3-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]imidazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-tert-butyl-1-(6-ethyl-3-pyridinyl)-3-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]imidazolidin-2-one
PubChem CID149014354
Molecular FormulaC23H27F3N4O2
Molecular Weight448.49 g/mol
Exact Mass448.21
IUPAC Name(4S)-4-tert-butyl-1-(6-ethyl-3-pyridinyl)-3-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]imidazolidin-2-one
SMILESCCc1ccc(N2C[C@H](C(C)(C)C)N(CC(=O)Cc3cc(C(F)(F)F)ccn3)C2=O)cn1
InChIInChI=1S/C23H27F3N4O2/c1-5-16-6-7-18(12-28-16)29-14-20(22(2,3)4)30(21(29)32)13-19(31)11-17-10-15(8-9-27-17)23(24,25)26/h6-10,12,20H,5,11,13-14H2,1-4H3/t20-/m1/s1
InChIKeyQCFZATKLHOYKPE-HXUWFJFHSA-N
XLogP4.53
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.49
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-4-tert-butyl-1-(6-ethyl-3-pyridinyl)-3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]imidazolidin-2-one
CID 157256357
2-[(5S)-5-tert-butyl-2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide
CID 90321893
2-[(5S)-5-tert-butyl-3-(6-cyano-3-pyridinyl)-2-oxoimidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide
CID 90321792
(4R)-1-(5-chloropyrimidin-2-yl)-4-[(1S)-1-fluoropropyl]-3-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]imidazolidin-2-one
CID 159231276
2-[(5S)-5-tert-butyl-2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]-N-(4-chloro-2-pyridinyl)acetamide
CID 90321897
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-[2-(trifluoromethyl)pyrimidin-5-yl]imidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide
CID 90321890
3-[3-(3-methylphenyl)-2-oxopropyl]-4-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-2-one
CID 159192742
2-[(5S)-2-oxo-5-propyl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 90321970
(4S)-4-[(2S)-butan-2-yl]-3-[3-(4-chloro-2-pyridinyl)-2-oxopropyl]-1-(5-fluoropyrimidin-2-yl)imidazolidin-2-one
CID 159317561
(4S)-3-[2-oxo-3-[4-(trifluoromethoxy)phenyl]propyl]-4-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-2-one
CID 157262734

Frequently Asked Questions

What is the IUPAC name of (4S)-4-tert-butyl-1-(6-ethyl-3-pyridinyl)-3-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]imidazolidin-2-one?
The IUPAC name of (4S)-4-tert-butyl-1-(6-ethyl-3-pyridinyl)-3-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]imidazolidin-2-one (CID 149014354) is (4S)-4-tert-butyl-1-(6-ethyl-3-pyridinyl)-3-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]imidazolidin-2-one.
What is the SMILES notation for (4S)-4-tert-butyl-1-(6-ethyl-3-pyridinyl)-3-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]imidazolidin-2-one?
The canonical SMILES for (4S)-4-tert-butyl-1-(6-ethyl-3-pyridinyl)-3-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]imidazolidin-2-one is CCc1ccc(N2C[C@H](C(C)(C)C)N(CC(=O)Cc3cc(C(F)(F)F)ccn3)C2=O)cn1.
What is the InChIKey of (4S)-4-tert-butyl-1-(6-ethyl-3-pyridinyl)-3-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]imidazolidin-2-one?
The InChIKey is QCFZATKLHOYKPE-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H27F3N4O2/c1-5-16-6-7-18(12-28-16)29-14-20(22(2,3)4)30(21(29)32)13-19(31)11-17-10-15(8-9-27-17)23(24,25)26/h6-10,12,20H,5,11,13-14H2,1-4H3/t20-/m1/s1.
What are the key properties of (4S)-4-tert-butyl-1-(6-ethyl-3-pyridinyl)-3-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]imidazolidin-2-one?
(4S)-4-tert-butyl-1-(6-ethyl-3-pyridinyl)-3-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]imidazolidin-2-one has a molecular weight of 448.49 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 4 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-[4-(trifluoromethyl)-2-pyridinyl]propyl]imidazolidin-2-one is sourced from PubChem (CID 149014354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).