[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate

C20H17F2N3O3 — CID 18192384

IUPAC[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate
SMILESCN(Cc1ccc(F)cc1)C(=O)COC(=O)c1cncn1-c1ccc(F)cc1
InChIInChI=1S/C20H17F2N3O3/c1-24(11-14-2-4-15(21)5-3-14)19(26)12-28-20(27)18-10-23-13-25(18)17-8-6-16(22)7-9-17/h2-10,13H,11-12H2,1H3
InChIKeyPUUPIAIIDXKCLR-UHFFFAOYSA-N
MW385.37 g/mol
LogP2.97
Rot. Bonds6

About [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate

[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate (PubChem CID 18192384) has the molecular formula C20H17F2N3O3 and a molecular weight of 385.37 g/mol. Its IUPAC name is [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate.

Molecular Properties

Compound Name[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate
PubChem CID18192384
Molecular FormulaC20H17F2N3O3
Molecular Weight385.37 g/mol
Exact Mass385.12
IUPAC Name[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate
SMILESCN(Cc1ccc(F)cc1)C(=O)COC(=O)c1cncn1-c1ccc(F)cc1
InChIInChI=1S/C20H17F2N3O3/c1-24(11-14-2-4-15(21)5-3-14)19(26)12-28-20(27)18-10-23-13-25(18)17-8-6-16(22)7-9-17/h2-10,13H,11-12H2,1H3
InChIKeyPUUPIAIIDXKCLR-UHFFFAOYSA-N
XLogP2.97
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.37
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate
CID 55367310
[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate
CID 18194149
N-[(4-tert-butylphenyl)methyl]-3-(4-fluorophenyl)-N-methylimidazole-4-carboxamide
CID 24515107
[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate
CID 43026994
[2-(5-methylthiophen-2-yl)-2-oxoethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate
CID 18195428
2-O-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56505379
2-phenoxyethyl 3-(4-fluorophenyl)imidazole-4-carboxylate
CID 55367321
3-(4-fluorophenyl)imidazole-4-carbohydrazide
CID 5092120
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 4-benzoylbenzoate
CID 7203975
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 18080617
N-[(4-fluorophenyl)methyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604549
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 4-(pyrazol-1-ylmethyl)benzoate
CID 18158295

Frequently Asked Questions

What is the IUPAC name of [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate?
The IUPAC name of [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate (CID 18192384) is [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate.
What is the SMILES notation for [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate?
The canonical SMILES for [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate is CN(Cc1ccc(F)cc1)C(=O)COC(=O)c1cncn1-c1ccc(F)cc1.
What is the InChIKey of [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate?
The InChIKey is PUUPIAIIDXKCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O3/c1-24(11-14-2-4-15(21)5-3-14)19(26)12-28-20(27)18-10-23-13-25(18)17-8-6-16(22)7-9-17/h2-10,13H,11-12H2,1H3.
What are the key properties of [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate?
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate has a molecular weight of 385.37 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate is sourced from PubChem (CID 18192384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).