2-[3-(2-fluoroethyl)-4-methyl-2-oxo-1H-imidazol-5-yl]butanamide

C10H16FN3O2 — CID 71019106

IUPAC2-[3-(2-fluoroethyl)-4-methyl-2-oxo-1H-imidazol-5-yl]butanamide
SMILESCCC(C(N)=O)c1[nH]c(=O)n(CCF)c1C
InChIInChI=1S/C10H16FN3O2/c1-3-7(9(12)15)8-6(2)14(5-4-11)10(16)13-8/h7H,3-5H2,1-2H3,(H2,12,15)(H,13,16)
InChIKeyDFPXAJQDBLOLAX-UHFFFAOYSA-N
MW229.25 g/mol
LogP0.43
Rot. Bonds5

About 2-[3-(2-fluoroethyl)-4-methyl-2-oxo-1H-imidazol-5-yl]butanamide

2-[3-(2-fluoroethyl)-4-methyl-2-oxo-1H-imidazol-5-yl]butanamide (PubChem CID 71019106) has the molecular formula C10H16FN3O2 and a molecular weight of 229.25 g/mol. Its IUPAC name is 2-[3-(2-fluoroethyl)-4-methyl-2-oxo-1H-imidazol-5-yl]butanamide.

Molecular Properties

Compound Name2-[3-(2-fluoroethyl)-4-methyl-2-oxo-1H-imidazol-5-yl]butanamide
PubChem CID71019106
Molecular FormulaC10H16FN3O2
Molecular Weight229.25 g/mol
Exact Mass229.12
IUPAC Name2-[3-(2-fluoroethyl)-4-methyl-2-oxo-1H-imidazol-5-yl]butanamide
SMILESCCC(C(N)=O)c1[nH]c(=O)n(CCF)c1C
InChIInChI=1S/C10H16FN3O2/c1-3-7(9(12)15)8-6(2)14(5-4-11)10(16)13-8/h7H,3-5H2,1-2H3,(H2,12,15)(H,13,16)
InChIKeyDFPXAJQDBLOLAX-UHFFFAOYSA-N
XLogP0.43
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-fluoroethyl)-4-methyl-2-oxo-1H-imidazol-5-yl]butanamide?
The IUPAC name of 2-[3-(2-fluoroethyl)-4-methyl-2-oxo-1H-imidazol-5-yl]butanamide (CID 71019106) is 2-[3-(2-fluoroethyl)-4-methyl-2-oxo-1H-imidazol-5-yl]butanamide.
What is the SMILES notation for 2-[3-(2-fluoroethyl)-4-methyl-2-oxo-1H-imidazol-5-yl]butanamide?
The canonical SMILES for 2-[3-(2-fluoroethyl)-4-methyl-2-oxo-1H-imidazol-5-yl]butanamide is CCC(C(N)=O)c1[nH]c(=O)n(CCF)c1C.
What is the InChIKey of 2-[3-(2-fluoroethyl)-4-methyl-2-oxo-1H-imidazol-5-yl]butanamide?
The InChIKey is DFPXAJQDBLOLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3O2/c1-3-7(9(12)15)8-6(2)14(5-4-11)10(16)13-8/h7H,3-5H2,1-2H3,(H2,12,15)(H,13,16).
What are the key properties of 2-[3-(2-fluoroethyl)-4-methyl-2-oxo-1H-imidazol-5-yl]butanamide?
2-[3-(2-fluoroethyl)-4-methyl-2-oxo-1H-imidazol-5-yl]butanamide has a molecular weight of 229.25 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-fluoroethyl)-4-methyl-2-oxo-1H-imidazol-5-yl]butanamide is sourced from PubChem (CID 71019106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).