(4S)-4-[3-(5-chloro-4-methylpyrimidin-2-yl)-3-(4-chlorophenyl)propanoyl]imidazolidin-2-one

C17H16Cl2N4O2 — CID 163584790

IUPAC(4S)-4-[3-(5-chloro-4-methylpyrimidin-2-yl)-3-(4-chlorophenyl)propanoyl]imidazolidin-2-one
SMILESCc1nc(C(CC(=O)[C@@H]2CNC(=O)N2)c2ccc(Cl)cc2)ncc1Cl
InChIInChI=1S/C17H16Cl2N4O2/c1-9-13(19)7-20-16(22-9)12(10-2-4-11(18)5-3-10)6-15(24)14-8-21-17(25)23-14/h2-5,7,12,14H,6,8H2,1H3,(H2,21,23,25)/t12?,14-/m0/s1
InChIKeyGKOXXFRQMCTJGN-PYMCNQPYSA-N
MW379.25 g/mol
LogP2.86
Rot. Bonds5

About (4S)-4-[3-(5-chloro-4-methylpyrimidin-2-yl)-3-(4-chlorophenyl)propanoyl]imidazolidin-2-one

(4S)-4-[3-(5-chloro-4-methylpyrimidin-2-yl)-3-(4-chlorophenyl)propanoyl]imidazolidin-2-one (PubChem CID 163584790) has the molecular formula C17H16Cl2N4O2 and a molecular weight of 379.25 g/mol. Its IUPAC name is (4S)-4-[3-(5-chloro-4-methylpyrimidin-2-yl)-3-(4-chlorophenyl)propanoyl]imidazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[3-(5-chloro-4-methylpyrimidin-2-yl)-3-(4-chlorophenyl)propanoyl]imidazolidin-2-one
PubChem CID163584790
Molecular FormulaC17H16Cl2N4O2
Molecular Weight379.25 g/mol
Exact Mass378.07
IUPAC Name(4S)-4-[3-(5-chloro-4-methylpyrimidin-2-yl)-3-(4-chlorophenyl)propanoyl]imidazolidin-2-one
SMILESCc1nc(C(CC(=O)[C@@H]2CNC(=O)N2)c2ccc(Cl)cc2)ncc1Cl
InChIInChI=1S/C17H16Cl2N4O2/c1-9-13(19)7-20-16(22-9)12(10-2-4-11(18)5-3-10)6-15(24)14-8-21-17(25)23-14/h2-5,7,12,14H,6,8H2,1H3,(H2,21,23,25)/t12?,14-/m0/s1
InChIKeyGKOXXFRQMCTJGN-PYMCNQPYSA-N
XLogP2.86
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.25
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-4-[3-(5-chloro-6-methyl-2-pyridinyl)-3-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]propanoyl]imidazolidin-2-one
CID 163862468
(4S)-4-[3-(3-chloro-4-fluorophenyl)-3-(2,5-dimethylpyrazol-3-yl)propanoyl]imidazolidin-2-one
CID 163590187
(4S)-4-[3-(3-chloro-4-fluorophenyl)-4-[(6-methyl-3-pyridinyl)oxy]butanoyl]imidazolidin-2-one
CID 163611458
(4S)-N-[(R)-(4-chlorophenyl)-phenylmethyl]-2-oxoimidazolidine-4-carboxamide
CID 97081299
N-[3,4-bis(4-chlorophenyl)butan-2-yl]-2-oxoimidazolidine-4-carboxamide
CID 10194383
(4S)-N-[(R)-(4-chlorophenyl)-[5-fluoro-4-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 162520836
(4S)-N-[(S)-(4-chlorophenyl)-pyrazolo[1,5-a]pyridin-5-ylmethyl]-2-oxoimidazolidine-4-carboxamide
CID 162520803
(4S)-N-[2-(3-chloro-4-fluorophenoxy)-1-(3-chloro-4-fluorophenyl)ethyl]-2-oxoimidazolidine-4-carboxamide
CID 162509714
2-oxo-N-[phenyl(pyridin-2-yl)methyl]imidazolidine-4-carboxamide
CID 167790880
(4S)-N-[(R)-(3-chloro-2,4-difluorophenyl)-[6-(trifluoromethoxy)-3-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 162520879
(4S)-N-[(4-chlorophenyl)-(2,2-dimethylpiperidin-4-yl)methyl]-2-oxoimidazolidine-4-carboxamide
CID 162520917
N-[(S)-1,3-benzothiazol-2-yl-(3-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide
CID 175417212

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[3-(5-chloro-4-methylpyrimidin-2-yl)-3-(4-chlorophenyl)propanoyl]imidazolidin-2-one?
The IUPAC name of (4S)-4-[3-(5-chloro-4-methylpyrimidin-2-yl)-3-(4-chlorophenyl)propanoyl]imidazolidin-2-one (CID 163584790) is (4S)-4-[3-(5-chloro-4-methylpyrimidin-2-yl)-3-(4-chlorophenyl)propanoyl]imidazolidin-2-one.
What is the SMILES notation for (4S)-4-[3-(5-chloro-4-methylpyrimidin-2-yl)-3-(4-chlorophenyl)propanoyl]imidazolidin-2-one?
The canonical SMILES for (4S)-4-[3-(5-chloro-4-methylpyrimidin-2-yl)-3-(4-chlorophenyl)propanoyl]imidazolidin-2-one is Cc1nc(C(CC(=O)[C@@H]2CNC(=O)N2)c2ccc(Cl)cc2)ncc1Cl.
What is the InChIKey of (4S)-4-[3-(5-chloro-4-methylpyrimidin-2-yl)-3-(4-chlorophenyl)propanoyl]imidazolidin-2-one?
The InChIKey is GKOXXFRQMCTJGN-PYMCNQPYSA-N. The full InChI is InChI=1S/C17H16Cl2N4O2/c1-9-13(19)7-20-16(22-9)12(10-2-4-11(18)5-3-10)6-15(24)14-8-21-17(25)23-14/h2-5,7,12,14H,6,8H2,1H3,(H2,21,23,25)/t12?,14-/m0/s1.
What are the key properties of (4S)-4-[3-(5-chloro-4-methylpyrimidin-2-yl)-3-(4-chlorophenyl)propanoyl]imidazolidin-2-one?
(4S)-4-[3-(5-chloro-4-methylpyrimidin-2-yl)-3-(4-chlorophenyl)propanoyl]imidazolidin-2-one has a molecular weight of 379.25 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[3-(5-chloro-4-methylpyrimidin-2-yl)-3-(4-chlorophenyl)propanoyl]imidazolidin-2-one is sourced from PubChem (CID 163584790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).