(4S)-4-[3-(3-chloro-4-fluorophenyl)-3-(2,5-dimethylpyrazol-3-yl)propanoyl]imidazolidin-2-one

C17H18ClFN4O2 — CID 163590187

IUPAC(4S)-4-[3-(3-chloro-4-fluorophenyl)-3-(2,5-dimethylpyrazol-3-yl)propanoyl]imidazolidin-2-one
SMILESCc1cc(C(CC(=O)[C@@H]2CNC(=O)N2)c2ccc(F)c(Cl)c2)n(C)n1
InChIInChI=1S/C17H18ClFN4O2/c1-9-5-15(23(2)22-9)11(10-3-4-13(19)12(18)6-10)7-16(24)14-8-20-17(25)21-14/h3-6,11,14H,7-8H2,1-2H3,(H2,20,21,25)/t11?,14-/m0/s1
InChIKeyGOWNWDGOMYWBAR-IAXJKZSUSA-N
MW364.81 g/mol
LogP2.29
Rot. Bonds5

About (4S)-4-[3-(3-chloro-4-fluorophenyl)-3-(2,5-dimethylpyrazol-3-yl)propanoyl]imidazolidin-2-one

(4S)-4-[3-(3-chloro-4-fluorophenyl)-3-(2,5-dimethylpyrazol-3-yl)propanoyl]imidazolidin-2-one (PubChem CID 163590187) has the molecular formula C17H18ClFN4O2 and a molecular weight of 364.81 g/mol. Its IUPAC name is (4S)-4-[3-(3-chloro-4-fluorophenyl)-3-(2,5-dimethylpyrazol-3-yl)propanoyl]imidazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[3-(3-chloro-4-fluorophenyl)-3-(2,5-dimethylpyrazol-3-yl)propanoyl]imidazolidin-2-one
PubChem CID163590187
Molecular FormulaC17H18ClFN4O2
Molecular Weight364.81 g/mol
Exact Mass364.11
IUPAC Name(4S)-4-[3-(3-chloro-4-fluorophenyl)-3-(2,5-dimethylpyrazol-3-yl)propanoyl]imidazolidin-2-one
SMILESCc1cc(C(CC(=O)[C@@H]2CNC(=O)N2)c2ccc(F)c(Cl)c2)n(C)n1
InChIInChI=1S/C17H18ClFN4O2/c1-9-5-15(23(2)22-9)11(10-3-4-13(19)12(18)6-10)7-16(24)14-8-20-17(25)21-14/h3-6,11,14H,7-8H2,1-2H3,(H2,20,21,25)/t11?,14-/m0/s1
InChIKeyGOWNWDGOMYWBAR-IAXJKZSUSA-N
XLogP2.29
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.81
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-4-[3-(3-chloro-4-fluorophenyl)-4-[(6-methyl-3-pyridinyl)oxy]butanoyl]imidazolidin-2-one
CID 163611458
(4S)-4-[3-(5-chloro-4-methylpyrimidin-2-yl)-3-(4-chlorophenyl)propanoyl]imidazolidin-2-one
CID 163584790
2-(3-chloro-4-fluorophenyl)-1-(2,5-dimethylpyrazol-3-yl)ethanol
CID 103043648
(4S)-4-[3-(5-chloro-6-methyl-2-pyridinyl)-3-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]propanoyl]imidazolidin-2-one
CID 163862468
(4S)-N-[2-(3-chloro-4-fluorophenoxy)-1-(3-chloro-4-fluorophenyl)ethyl]-2-oxoimidazolidine-4-carboxamide
CID 162509714
N-[(4-chloro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-(3-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide
CID 162509760
(4S)-N-[(S)-(5-chloro-1-benzofuran-2-yl)-(3-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide
CID 162520848
(4S)-N-[(R)-(3-chloro-4-fluorophenyl)-(6-cyano-2-pyridinyl)methyl]-2-oxoimidazolidine-4-carboxamide
CID 175417242
(4S)-N-[(S)-1,3-benzothiazol-2-yl-(3-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide
CID 162520888
N-[(S)-1,3-benzothiazol-2-yl-(3-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide
CID 175417212
(4S)-N-[(R)-(4-chlorophenyl)-phenylmethyl]-2-oxoimidazolidine-4-carboxamide
CID 97081299
(3-chloro-4-methylphenyl)-(2,5-dimethylpyrazol-3-yl)methanol
CID 107562168

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[3-(3-chloro-4-fluorophenyl)-3-(2,5-dimethylpyrazol-3-yl)propanoyl]imidazolidin-2-one?
The IUPAC name of (4S)-4-[3-(3-chloro-4-fluorophenyl)-3-(2,5-dimethylpyrazol-3-yl)propanoyl]imidazolidin-2-one (CID 163590187) is (4S)-4-[3-(3-chloro-4-fluorophenyl)-3-(2,5-dimethylpyrazol-3-yl)propanoyl]imidazolidin-2-one.
What is the SMILES notation for (4S)-4-[3-(3-chloro-4-fluorophenyl)-3-(2,5-dimethylpyrazol-3-yl)propanoyl]imidazolidin-2-one?
The canonical SMILES for (4S)-4-[3-(3-chloro-4-fluorophenyl)-3-(2,5-dimethylpyrazol-3-yl)propanoyl]imidazolidin-2-one is Cc1cc(C(CC(=O)[C@@H]2CNC(=O)N2)c2ccc(F)c(Cl)c2)n(C)n1.
What is the InChIKey of (4S)-4-[3-(3-chloro-4-fluorophenyl)-3-(2,5-dimethylpyrazol-3-yl)propanoyl]imidazolidin-2-one?
The InChIKey is GOWNWDGOMYWBAR-IAXJKZSUSA-N. The full InChI is InChI=1S/C17H18ClFN4O2/c1-9-5-15(23(2)22-9)11(10-3-4-13(19)12(18)6-10)7-16(24)14-8-20-17(25)21-14/h3-6,11,14H,7-8H2,1-2H3,(H2,20,21,25)/t11?,14-/m0/s1.
What are the key properties of (4S)-4-[3-(3-chloro-4-fluorophenyl)-3-(2,5-dimethylpyrazol-3-yl)propanoyl]imidazolidin-2-one?
(4S)-4-[3-(3-chloro-4-fluorophenyl)-3-(2,5-dimethylpyrazol-3-yl)propanoyl]imidazolidin-2-one has a molecular weight of 364.81 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[3-(3-chloro-4-fluorophenyl)-3-(2,5-dimethylpyrazol-3-yl)propanoyl]imidazolidin-2-one is sourced from PubChem (CID 163590187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).