5-[(4-fluorophenyl)methyl]-3-(2-imidazol-1-ylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione

C20H24FN5O2 — CID 56716219

IUPAC5-[(4-fluorophenyl)methyl]-3-(2-imidazol-1-ylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione
SMILESO=C1NC(Cc2ccc(F)cc2)(C2CCNCC2)C(=O)N1CCn1ccnc1
InChIInChI=1S/C20H24FN5O2/c21-17-3-1-15(2-4-17)13-20(16-5-7-22-8-6-16)18(27)26(19(28)24-20)12-11-25-10-9-23-14-25/h1-4,9-10,14,16,22H,5-8,11-13H2,(H,24,28)
InChIKeyXEPNVNXCDLZDOY-UHFFFAOYSA-N
MW385.44 g/mol
LogP1.56
Rot. Bonds6

About 5-[(4-fluorophenyl)methyl]-3-(2-imidazol-1-ylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione

5-[(4-fluorophenyl)methyl]-3-(2-imidazol-1-ylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione (PubChem CID 56716219) has the molecular formula C20H24FN5O2 and a molecular weight of 385.44 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl]-3-(2-imidazol-1-ylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyl]-3-(2-imidazol-1-ylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione
PubChem CID56716219
Molecular FormulaC20H24FN5O2
Molecular Weight385.44 g/mol
Exact Mass385.19
IUPAC Name5-[(4-fluorophenyl)methyl]-3-(2-imidazol-1-ylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione
SMILESO=C1NC(Cc2ccc(F)cc2)(C2CCNCC2)C(=O)N1CCn1ccnc1
InChIInChI=1S/C20H24FN5O2/c21-17-3-1-15(2-4-17)13-20(16-5-7-22-8-6-16)18(27)26(19(28)24-20)12-11-25-10-9-23-14-25/h1-4,9-10,14,16,22H,5-8,11-13H2,(H,24,28)
InChIKeyXEPNVNXCDLZDOY-UHFFFAOYSA-N
XLogP1.56
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-[2-methyl-1-(oxan-4-ylmethylamino)propan-2-yl]imidazol-4-yl]pentanamide
CID 16112999
(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-[1-(2,2-dimethylpropylamino)-2-methylpropan-2-yl]imidazol-4-yl]pentanamide
CID 53327840
(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)imidazol-4-yl]pentanamide
CID 54581935
(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(1-pentan-3-ylimidazol-4-yl)pentanamide
CID 54585748
(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-(2-methyl-1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]pentanamide
CID 54587781
PREP inhibitor-1
CID 163321208
1-[(2S)-2-[(2S)-2-(1H-imidazol-2-yl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 164614810
1-[(2S)-2-[(2S)-2-(1H-imidazol-2-yl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-5-phenylpentan-1-one
CID 164621268
3-(3-(1H-imidazol-1-yl)propyl)-5-methyl-5-(naphthalen-1-yl)imidazolidine-2,4-dione
CID 22466842
(S)-N-(3-(1H-imidazol-5-yl)propyl)-1-((R)-2-amino-3,3-diphenylpropanoyl)pyrrolidine-2-carboxamide
CID 44406471
(S)-2-[2-(3,5-Difluoro-phenyl)-acetylamino]-N-[1-(1,1-dimethyl-2-pyrrolidin-1-yl-ethyl)-1H-imidazol-4-yl]-2-phenyl-acetamide
CID 54582859
WH4V3479DC
CID 11757575

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methyl]-3-(2-imidazol-1-ylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione?
The IUPAC name of 5-[(4-fluorophenyl)methyl]-3-(2-imidazol-1-ylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione (CID 56716219) is 5-[(4-fluorophenyl)methyl]-3-(2-imidazol-1-ylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[(4-fluorophenyl)methyl]-3-(2-imidazol-1-ylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione?
The canonical SMILES for 5-[(4-fluorophenyl)methyl]-3-(2-imidazol-1-ylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione is O=C1NC(Cc2ccc(F)cc2)(C2CCNCC2)C(=O)N1CCn1ccnc1.
What is the InChIKey of 5-[(4-fluorophenyl)methyl]-3-(2-imidazol-1-ylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione?
The InChIKey is XEPNVNXCDLZDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5O2/c21-17-3-1-15(2-4-17)13-20(16-5-7-22-8-6-16)18(27)26(19(28)24-20)12-11-25-10-9-23-14-25/h1-4,9-10,14,16,22H,5-8,11-13H2,(H,24,28).
What are the key properties of 5-[(4-fluorophenyl)methyl]-3-(2-imidazol-1-ylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione?
5-[(4-fluorophenyl)methyl]-3-(2-imidazol-1-ylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione has a molecular weight of 385.44 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methyl]-3-(2-imidazol-1-ylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione is sourced from PubChem (CID 56716219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).