[2-oxo-2-(1-phenylethylamino)ethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate

C20H18FN3O3 — CID 18192374

IUPAC[2-oxo-2-(1-phenylethylamino)ethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate
SMILESCC(NC(=O)COC(=O)c1cncn1-c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C20H18FN3O3/c1-14(15-5-3-2-4-6-15)23-19(25)12-27-20(26)18-11-22-13-24(18)17-9-7-16(21)8-10-17/h2-11,13-14H,12H2,1H3,(H,23,25)
InChIKeySGWWFOOWUNDOPU-UHFFFAOYSA-N
MW367.38 g/mol
LogP3.05
Rot. Bonds6

About [2-oxo-2-(1-phenylethylamino)ethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate

[2-oxo-2-(1-phenylethylamino)ethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate (PubChem CID 18192374) has the molecular formula C20H18FN3O3 and a molecular weight of 367.38 g/mol. Its IUPAC name is [2-oxo-2-(1-phenylethylamino)ethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(1-phenylethylamino)ethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate
PubChem CID18192374
Molecular FormulaC20H18FN3O3
Molecular Weight367.38 g/mol
Exact Mass367.13
IUPAC Name[2-oxo-2-(1-phenylethylamino)ethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate
SMILESCC(NC(=O)COC(=O)c1cncn1-c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C20H18FN3O3/c1-14(15-5-3-2-4-6-15)23-19(25)12-27-20(26)18-11-22-13-24(18)17-9-7-16(21)8-10-17/h2-11,13-14H,12H2,1H3,(H,23,25)
InChIKeySGWWFOOWUNDOPU-UHFFFAOYSA-N
XLogP3.05
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate
CID 43026994
N-[(1S)-1-(4-fluorophenyl)ethyl]-3-phenylimidazole-4-carboxamide
CID 30969685
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 3-phenylimidazole-4-carboxylate
CID 18192289
3-(4-fluorophenyl)-N-[(1S)-1-pyridin-4-ylethyl]imidazole-4-carboxamide
CID 39949661
3-(4-fluorophenyl)-N'-[(3S)-3-phenylbutanoyl]imidazole-4-carbohydrazide
CID 40591024
2-methoxyethyl 3-(4-fluorophenyl)imidazole-4-carboxylate
CID 55475099
2-phenoxyethyl 3-(4-fluorophenyl)imidazole-4-carboxylate
CID 55367321
[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxylate
CID 55310184
[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl] naphthalene-1-carboxylate
CID 2558377
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] pyridine-4-carboxylate
CID 7783953
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate
CID 18192384
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 5-chloro-2-fluorobenzoate
CID 95181216

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(1-phenylethylamino)ethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate?
The IUPAC name of [2-oxo-2-(1-phenylethylamino)ethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate (CID 18192374) is [2-oxo-2-(1-phenylethylamino)ethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate.
What is the SMILES notation for [2-oxo-2-(1-phenylethylamino)ethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate?
The canonical SMILES for [2-oxo-2-(1-phenylethylamino)ethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate is CC(NC(=O)COC(=O)c1cncn1-c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of [2-oxo-2-(1-phenylethylamino)ethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate?
The InChIKey is SGWWFOOWUNDOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3/c1-14(15-5-3-2-4-6-15)23-19(25)12-27-20(26)18-11-22-13-24(18)17-9-7-16(21)8-10-17/h2-11,13-14H,12H2,1H3,(H,23,25).
What are the key properties of [2-oxo-2-(1-phenylethylamino)ethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate?
[2-oxo-2-(1-phenylethylamino)ethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate has a molecular weight of 367.38 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(1-phenylethylamino)ethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate is sourced from PubChem (CID 18192374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).