(4S)-1-(5-chloropyrimidin-2-yl)-3-[2-(3-ethoxyphenyl)-2-oxoethyl]-4-propan-2-ylimidazolidin-2-one

C20H23ClN4O3 — CID 73055118

IUPAC(4S)-1-(5-chloropyrimidin-2-yl)-3-[2-(3-ethoxyphenyl)-2-oxoethyl]-4-propan-2-ylimidazolidin-2-one
SMILESCCOc1cccc(C(=O)CN2C(=O)N(c3ncc(Cl)cn3)C[C@@H]2C(C)C)c1
InChIInChI=1S/C20H23ClN4O3/c1-4-28-16-7-5-6-14(8-16)18(26)12-24-17(13(2)3)11-25(20(24)27)19-22-9-15(21)10-23-19/h5-10,13,17H,4,11-12H2,1-3H3/t17-/m1/s1
InChIKeyXPODPZVMJDIBTC-QGZVFWFLSA-N
MW402.88 g/mol
LogP3.68
Rot. Bonds7

About (4S)-1-(5-chloropyrimidin-2-yl)-3-[2-(3-ethoxyphenyl)-2-oxoethyl]-4-propan-2-ylimidazolidin-2-one

(4S)-1-(5-chloropyrimidin-2-yl)-3-[2-(3-ethoxyphenyl)-2-oxoethyl]-4-propan-2-ylimidazolidin-2-one (PubChem CID 73055118) has the molecular formula C20H23ClN4O3 and a molecular weight of 402.88 g/mol. Its IUPAC name is (4S)-1-(5-chloropyrimidin-2-yl)-3-[2-(3-ethoxyphenyl)-2-oxoethyl]-4-propan-2-ylimidazolidin-2-one.

Molecular Properties

Compound Name(4S)-1-(5-chloropyrimidin-2-yl)-3-[2-(3-ethoxyphenyl)-2-oxoethyl]-4-propan-2-ylimidazolidin-2-one
PubChem CID73055118
Molecular FormulaC20H23ClN4O3
Molecular Weight402.88 g/mol
Exact Mass402.15
IUPAC Name(4S)-1-(5-chloropyrimidin-2-yl)-3-[2-(3-ethoxyphenyl)-2-oxoethyl]-4-propan-2-ylimidazolidin-2-one
SMILESCCOc1cccc(C(=O)CN2C(=O)N(c3ncc(Cl)cn3)C[C@@H]2C(C)C)c1
InChIInChI=1S/C20H23ClN4O3/c1-4-28-16-7-5-6-14(8-16)18(26)12-24-17(13(2)3)11-25(20(24)27)19-22-9-15(21)10-23-19/h5-10,13,17H,4,11-12H2,1-3H3/t17-/m1/s1
InChIKeyXPODPZVMJDIBTC-QGZVFWFLSA-N
XLogP3.68
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.88
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-3-[2-(3-ethoxyphenyl)-2-oxoethyl]-4-[(1S)-1-fluoropropyl]-1-[5-(trifluoromethyl)pyrimidin-2-yl]imidazolidin-2-one
CID 73054572
2-[(4S)-2-oxo-3-[2-oxo-2-[3-(trifluoromethoxy)phenyl]ethyl]-4-propan-2-ylimidazolidin-1-yl]pyrimidine-5-carbonitrile
CID 73055409
(4S)-3-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]-1-(5-ethoxypyrimidin-2-yl)-4-propan-2-ylimidazolidin-2-one
CID 160861251
2-(4-chlorophenoxy)-1-(3-ethoxyphenyl)ethanone
CID 105122407
(4S)-4-[(2S)-butan-2-yl]-3-[3-(4-chloro-2-pyridinyl)-2-oxopropyl]-1-(5-fluoropyrimidin-2-yl)imidazolidin-2-one
CID 159317561
3-(3-ethoxyphenyl)-3-oxopropanal
CID 55266464
N-(4-cyclopropyl-2-pyridinyl)-2-[(5S)-3-(5-ethylpyrimidin-2-yl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]acetamide
CID 90321917
2-(1,2-dihydroimidazol-3-yl)-1-(3-ethoxyphenyl)ethanone;hydrobromide
CID 173395158
(5S)-5-[(2S)-butan-2-yl]-1-[2-(3-chlorophenyl)-2-oxoethyl]imidazolidin-2-one
CID 151655792
[4-(3-ethoxybenzoyl)piperazin-1-yl]-(3-ethoxyphenyl)methanone
CID 4958094
2-amino-1-(3-ethoxyphenyl)pentan-1-one
CID 116554755
6-(3-ethoxybenzoyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175460

Frequently Asked Questions

What is the IUPAC name of (4S)-1-(5-chloropyrimidin-2-yl)-3-[2-(3-ethoxyphenyl)-2-oxoethyl]-4-propan-2-ylimidazolidin-2-one?
The IUPAC name of (4S)-1-(5-chloropyrimidin-2-yl)-3-[2-(3-ethoxyphenyl)-2-oxoethyl]-4-propan-2-ylimidazolidin-2-one (CID 73055118) is (4S)-1-(5-chloropyrimidin-2-yl)-3-[2-(3-ethoxyphenyl)-2-oxoethyl]-4-propan-2-ylimidazolidin-2-one.
What is the SMILES notation for (4S)-1-(5-chloropyrimidin-2-yl)-3-[2-(3-ethoxyphenyl)-2-oxoethyl]-4-propan-2-ylimidazolidin-2-one?
The canonical SMILES for (4S)-1-(5-chloropyrimidin-2-yl)-3-[2-(3-ethoxyphenyl)-2-oxoethyl]-4-propan-2-ylimidazolidin-2-one is CCOc1cccc(C(=O)CN2C(=O)N(c3ncc(Cl)cn3)C[C@@H]2C(C)C)c1.
What is the InChIKey of (4S)-1-(5-chloropyrimidin-2-yl)-3-[2-(3-ethoxyphenyl)-2-oxoethyl]-4-propan-2-ylimidazolidin-2-one?
The InChIKey is XPODPZVMJDIBTC-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H23ClN4O3/c1-4-28-16-7-5-6-14(8-16)18(26)12-24-17(13(2)3)11-25(20(24)27)19-22-9-15(21)10-23-19/h5-10,13,17H,4,11-12H2,1-3H3/t17-/m1/s1.
What are the key properties of (4S)-1-(5-chloropyrimidin-2-yl)-3-[2-(3-ethoxyphenyl)-2-oxoethyl]-4-propan-2-ylimidazolidin-2-one?
(4S)-1-(5-chloropyrimidin-2-yl)-3-[2-(3-ethoxyphenyl)-2-oxoethyl]-4-propan-2-ylimidazolidin-2-one has a molecular weight of 402.88 g/mol, XLogP of 3.68, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(5-chloropyrimidin-2-yl)-3-[2-(3-ethoxyphenyl)-2-oxoethyl]-4-propan-2-ylimidazolidin-2-one is sourced from PubChem (CID 73055118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).