5-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-5-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione

C22H28FN5O2 — CID 45199531

IUPAC5-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-5-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
SMILESCCn1cc(CN2CCC(C3(Cc4ccccc4F)NC(=O)NC3=O)CC2)c(C)n1
InChIInChI=1S/C22H28FN5O2/c1-3-28-14-17(15(2)26-28)13-27-10-8-18(9-11-27)22(20(29)24-21(30)25-22)12-16-6-4-5-7-19(16)23/h4-7,14,18H,3,8-13H2,1-2H3,(H2,24,25,29,30)
InChIKeyZESGRJWQZPWCKA-UHFFFAOYSA-N
MW413.50 g/mol
LogP2.38
Rot. Bonds6

About 5-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-5-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione

5-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-5-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione (PubChem CID 45199531) has the molecular formula C22H28FN5O2 and a molecular weight of 413.50 g/mol. Its IUPAC name is 5-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-5-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-5-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
PubChem CID45199531
Molecular FormulaC22H28FN5O2
Molecular Weight413.50 g/mol
Exact Mass413.22
IUPAC Name5-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-5-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
SMILESCCn1cc(CN2CCC(C3(Cc4ccccc4F)NC(=O)NC3=O)CC2)c(C)n1
InChIInChI=1S/C22H28FN5O2/c1-3-28-14-17(15(2)26-28)13-27-10-8-18(9-11-27)22(20(29)24-21(30)25-22)12-16-6-4-5-7-19(16)23/h4-7,14,18H,3,8-13H2,1-2H3,(H2,24,25,29,30)
InChIKeyZESGRJWQZPWCKA-UHFFFAOYSA-N
XLogP2.38
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 52.38
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-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-5-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-5-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione (CID 45199531) is 5-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-5-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-5-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-5-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione is CCn1cc(CN2CCC(C3(Cc4ccccc4F)NC(=O)NC3=O)CC2)c(C)n1.
What is the InChIKey of 5-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-5-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione?
The InChIKey is ZESGRJWQZPWCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN5O2/c1-3-28-14-17(15(2)26-28)13-27-10-8-18(9-11-27)22(20(29)24-21(30)25-22)12-16-6-4-5-7-19(16)23/h4-7,14,18H,3,8-13H2,1-2H3,(H2,24,25,29,30).
What are the key properties of 5-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-5-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione?
5-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-5-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione has a molecular weight of 413.50 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-5-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 45199531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).