4,5-diethyl-3-(2-fluoroethyl)-1H-imidazol-2-one;formamide

C10H18FN3O2 — CID 143790255

IUPAC4,5-diethyl-3-(2-fluoroethyl)-1H-imidazol-2-one;formamide
SMILESCCc1[nH]c(=O)n(CCF)c1CC.NC=O
InChIInChI=1S/C9H15FN2O.CH3NO/c1-3-7-8(4-2)12(6-5-10)9(13)11-7;2-1-3/h3-6H2,1-2H3,(H,11,13);1H,(H2,2,3)
InChIKeyBEQDYFQJLFVMIO-UHFFFAOYSA-N
MW231.27 g/mol
LogP0.37
Rot. Bonds4

About 4,5-diethyl-3-(2-fluoroethyl)-1H-imidazol-2-one;formamide

4,5-diethyl-3-(2-fluoroethyl)-1H-imidazol-2-one;formamide (PubChem CID 143790255) has the molecular formula C10H18FN3O2 and a molecular weight of 231.27 g/mol. Its IUPAC name is 4,5-diethyl-3-(2-fluoroethyl)-1H-imidazol-2-one;formamide.

Molecular Properties

Compound Name4,5-diethyl-3-(2-fluoroethyl)-1H-imidazol-2-one;formamide
PubChem CID143790255
Molecular FormulaC10H18FN3O2
Molecular Weight231.27 g/mol
Exact Mass231.14
IUPAC Name4,5-diethyl-3-(2-fluoroethyl)-1H-imidazol-2-one;formamide
SMILESCCc1[nH]c(=O)n(CCF)c1CC.NC=O
InChIInChI=1S/C9H15FN2O.CH3NO/c1-3-7-8(4-2)12(6-5-10)9(13)11-7;2-1-3/h3-6H2,1-2H3,(H,11,13);1H,(H2,2,3)
InChIKeyBEQDYFQJLFVMIO-UHFFFAOYSA-N
XLogP0.37
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5-diethyl-3-(2-fluoroethyl)-1H-imidazol-2-one;formamide?
The IUPAC name of 4,5-diethyl-3-(2-fluoroethyl)-1H-imidazol-2-one;formamide (CID 143790255) is 4,5-diethyl-3-(2-fluoroethyl)-1H-imidazol-2-one;formamide.
What is the SMILES notation for 4,5-diethyl-3-(2-fluoroethyl)-1H-imidazol-2-one;formamide?
The canonical SMILES for 4,5-diethyl-3-(2-fluoroethyl)-1H-imidazol-2-one;formamide is CCc1[nH]c(=O)n(CCF)c1CC.NC=O.
What is the InChIKey of 4,5-diethyl-3-(2-fluoroethyl)-1H-imidazol-2-one;formamide?
The InChIKey is BEQDYFQJLFVMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2O.CH3NO/c1-3-7-8(4-2)12(6-5-10)9(13)11-7;2-1-3/h3-6H2,1-2H3,(H,11,13);1H,(H2,2,3).
What are the key properties of 4,5-diethyl-3-(2-fluoroethyl)-1H-imidazol-2-one;formamide?
4,5-diethyl-3-(2-fluoroethyl)-1H-imidazol-2-one;formamide has a molecular weight of 231.27 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diethyl-3-(2-fluoroethyl)-1H-imidazol-2-one;formamide is sourced from PubChem (CID 143790255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).