3-[1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]imidazolidine-2,4-dione

C21H19FN4O2 — CID 143823513

IUPAC3-[1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]imidazolidine-2,4-dione
SMILESCc1ccc(-c2cnc(C(Cc3ccccc3)N3C(=O)CNC3=O)[nH]2)c(F)c1
InChIInChI=1S/C21H19FN4O2/c1-13-7-8-15(16(22)9-13)17-11-23-20(25-17)18(10-14-5-3-2-4-6-14)26-19(27)12-24-21(26)28/h2-9,11,18H,10,12H2,1H3,(H,23,25)(H,24,28)
InChIKeyRGUWFWDCQCIXFZ-UHFFFAOYSA-N
MW378.41 g/mol
LogP3.36
Rot. Bonds5

About 3-[1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]imidazolidine-2,4-dione

3-[1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]imidazolidine-2,4-dione (PubChem CID 143823513) has the molecular formula C21H19FN4O2 and a molecular weight of 378.41 g/mol. Its IUPAC name is 3-[1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]imidazolidine-2,4-dione
PubChem CID143823513
Molecular FormulaC21H19FN4O2
Molecular Weight378.41 g/mol
Exact Mass378.15
IUPAC Name3-[1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]imidazolidine-2,4-dione
SMILESCc1ccc(-c2cnc(C(Cc3ccccc3)N3C(=O)CNC3=O)[nH]2)c(F)c1
InChIInChI=1S/C21H19FN4O2/c1-13-7-8-15(16(22)9-13)17-11-23-20(25-17)18(10-14-5-3-2-4-6-14)26-19(27)12-24-21(26)28/h2-9,11,18H,10,12H2,1H3,(H,23,25)(H,24,28)
InChIKeyRGUWFWDCQCIXFZ-UHFFFAOYSA-N
XLogP3.36
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

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CID 25154714
Daclatasvir Dihydrochloride
CID 25154713
Ins018_055
CID 164938183
2-hexyl-5-(4-phenylphenyl)-1H-imidazole
CID 9922499
2-heptan-4-yl-5-(4-phenylphenyl)-1H-imidazole
CID 9923013
1-Phenylcarbamoylmethyl-3-p-tolyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium
CID 16682349
4-((S)-2-amino-3-oxo-3-((S)-2-(4-phenyl-1H-imidazol-2-yl)piperidin-1-yl)propyl)-3,5-dimethylbenzamide
CID 10343492
(2R)-2-(dimethylamino)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenyl-acetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenyl-ethanone
CID 24737672
methyl N-[(1S)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methyl-butanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]cyclohexyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]-2-methyl-propyl]carbamate
CID 46937954
Xobutan-2-yl}carbamate--naphthalene-1,5-disulfonic acid (1/1)
CID 57345407
methyl N-[(1S)-1-[(2S)-2-[5-[4-[4-[2-[8,8-difluoro-4-[(2S)-2-(methoxycarbonylamino)butanoyl]-4-azaspiro[4.5]decan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]-2-methyl-propyl]carbamate
CID 58313054
methyl N-[(2S)-1-[(2S)-2-[5-[4-[4-[2-[(3S)-8,8-difluoro-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azaspiro[4.5]decan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 58313072

Frequently Asked Questions

What is the IUPAC name of 3-[1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]imidazolidine-2,4-dione (CID 143823513) is 3-[1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]imidazolidine-2,4-dione is Cc1ccc(-c2cnc(C(Cc3ccccc3)N3C(=O)CNC3=O)[nH]2)c(F)c1.
What is the InChIKey of 3-[1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]imidazolidine-2,4-dione?
The InChIKey is RGUWFWDCQCIXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2/c1-13-7-8-15(16(22)9-13)17-11-23-20(25-17)18(10-14-5-3-2-4-6-14)26-19(27)12-24-21(26)28/h2-9,11,18H,10,12H2,1H3,(H,23,25)(H,24,28).
What are the key properties of 3-[1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]imidazolidine-2,4-dione?
3-[1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]imidazolidine-2,4-dione has a molecular weight of 378.41 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 143823513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).