5-[(2-fluorophenyl)methyl]-5-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione

C22H25FN4O2 — CID 45204894

IUPAC5-[(2-fluorophenyl)methyl]-5-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
SMILESCc1cccc(CN2CCC(C3(Cc4ccccc4F)NC(=O)NC3=O)CC2)n1
InChIInChI=1S/C22H25FN4O2/c1-15-5-4-7-18(24-15)14-27-11-9-17(10-12-27)22(20(28)25-21(29)26-22)13-16-6-2-3-8-19(16)23/h2-8,17H,9-14H2,1H3,(H2,25,26,28,29)
InChIKeyNWINAVGCVXYPKA-UHFFFAOYSA-N
MW396.47 g/mol
LogP2.56
Rot. Bonds5

About 5-[(2-fluorophenyl)methyl]-5-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione

5-[(2-fluorophenyl)methyl]-5-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione (PubChem CID 45204894) has the molecular formula C22H25FN4O2 and a molecular weight of 396.47 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)methyl]-5-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(2-fluorophenyl)methyl]-5-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
PubChem CID45204894
Molecular FormulaC22H25FN4O2
Molecular Weight396.47 g/mol
Exact Mass396.20
IUPAC Name5-[(2-fluorophenyl)methyl]-5-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
SMILESCc1cccc(CN2CCC(C3(Cc4ccccc4F)NC(=O)NC3=O)CC2)n1
InChIInChI=1S/C22H25FN4O2/c1-15-5-4-7-18(24-15)14-27-11-9-17(10-12-27)22(20(28)25-21(29)26-22)13-16-6-2-3-8-19(16)23/h2-8,17H,9-14H2,1H3,(H2,25,26,28,29)
InChIKeyNWINAVGCVXYPKA-UHFFFAOYSA-N
XLogP2.56
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(2-fluorophenyl)methyl]-5-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione?
The IUPAC name of 5-[(2-fluorophenyl)methyl]-5-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione (CID 45204894) is 5-[(2-fluorophenyl)methyl]-5-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[(2-fluorophenyl)methyl]-5-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[(2-fluorophenyl)methyl]-5-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione is Cc1cccc(CN2CCC(C3(Cc4ccccc4F)NC(=O)NC3=O)CC2)n1.
What is the InChIKey of 5-[(2-fluorophenyl)methyl]-5-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione?
The InChIKey is NWINAVGCVXYPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O2/c1-15-5-4-7-18(24-15)14-27-11-9-17(10-12-27)22(20(28)25-21(29)26-22)13-16-6-2-3-8-19(16)23/h2-8,17H,9-14H2,1H3,(H2,25,26,28,29).
What are the key properties of 5-[(2-fluorophenyl)methyl]-5-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione?
5-[(2-fluorophenyl)methyl]-5-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione has a molecular weight of 396.47 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)methyl]-5-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 45204894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).