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

C20H24FN5O2 — CID 56723377

IUPAC5-[(4-fluorophenyl)methyl]-3-[(1-methylimidazol-2-yl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione
SMILESCn1ccnc1CN1C(=O)NC(Cc2ccc(F)cc2)(C2CCNCC2)C1=O
InChIInChI=1S/C20H24FN5O2/c1-25-11-10-23-17(25)13-26-18(27)20(24-19(26)28,15-6-8-22-9-7-15)12-14-2-4-16(21)5-3-14/h2-5,10-11,15,22H,6-9,12-13H2,1H3,(H,24,28)
InChIKeyHKRZYLCCTCEQQF-UHFFFAOYSA-N
MW385.44 g/mol
LogP1.59
Rot. Bonds5

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

5-[(4-fluorophenyl)methyl]-3-[(1-methylimidazol-2-yl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione (PubChem CID 56723377) has the molecular formula C20H24FN5O2 and a molecular weight of 385.44 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl]-3-[(1-methylimidazol-2-yl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyl]-3-[(1-methylimidazol-2-yl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione
PubChem CID56723377
Molecular FormulaC20H24FN5O2
Molecular Weight385.44 g/mol
Exact Mass385.19
IUPAC Name5-[(4-fluorophenyl)methyl]-3-[(1-methylimidazol-2-yl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione
SMILESCn1ccnc1CN1C(=O)NC(Cc2ccc(F)cc2)(C2CCNCC2)C1=O
InChIInChI=1S/C20H24FN5O2/c1-25-11-10-23-17(25)13-26-18(27)20(24-19(26)28,15-6-8-22-9-7-15)12-14-2-4-16(21)5-3-14/h2-5,10-11,15,22H,6-9,12-13H2,1H3,(H,24,28)
InChIKeyHKRZYLCCTCEQQF-UHFFFAOYSA-N
XLogP1.59
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methyl]-3-[(1-methylimidazol-2-yl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione?
The IUPAC name of 5-[(4-fluorophenyl)methyl]-3-[(1-methylimidazol-2-yl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione (CID 56723377) is 5-[(4-fluorophenyl)methyl]-3-[(1-methylimidazol-2-yl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[(4-fluorophenyl)methyl]-3-[(1-methylimidazol-2-yl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione?
The canonical SMILES for 5-[(4-fluorophenyl)methyl]-3-[(1-methylimidazol-2-yl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione is Cn1ccnc1CN1C(=O)NC(Cc2ccc(F)cc2)(C2CCNCC2)C1=O.
What is the InChIKey of 5-[(4-fluorophenyl)methyl]-3-[(1-methylimidazol-2-yl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione?
The InChIKey is HKRZYLCCTCEQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5O2/c1-25-11-10-23-17(25)13-26-18(27)20(24-19(26)28,15-6-8-22-9-7-15)12-14-2-4-16(21)5-3-14/h2-5,10-11,15,22H,6-9,12-13H2,1H3,(H,24,28).
What are the key properties of 5-[(4-fluorophenyl)methyl]-3-[(1-methylimidazol-2-yl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione?
5-[(4-fluorophenyl)methyl]-3-[(1-methylimidazol-2-yl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione has a molecular weight of 385.44 g/mol, XLogP of 1.59, 5 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-[(1-methylimidazol-2-yl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione is sourced from PubChem (CID 56723377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).