[(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 3-(4-fluorophenyl)imidazole-4-carboxylate

C22H19FN2O3 — CID 30967826

IUPAC[(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 3-(4-fluorophenyl)imidazole-4-carboxylate
SMILESC[C@@H](OC(=O)c1cncn1-c1ccc(F)cc1)C(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C22H19FN2O3/c1-14(21(26)17-6-5-15-3-2-4-16(15)11-17)28-22(27)20-12-24-13-25(20)19-9-7-18(23)8-10-19/h5-14H,2-4H2,1H3/t14-/m1/s1
InChIKeyUXTFZYOVALVOHT-CQSZACIVSA-N
MW378.40 g/mol
LogP3.93
Rot. Bonds5

About [(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 3-(4-fluorophenyl)imidazole-4-carboxylate

[(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 3-(4-fluorophenyl)imidazole-4-carboxylate (PubChem CID 30967826) has the molecular formula C22H19FN2O3 and a molecular weight of 378.40 g/mol. Its IUPAC name is [(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 3-(4-fluorophenyl)imidazole-4-carboxylate.

Molecular Properties

Compound Name[(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 3-(4-fluorophenyl)imidazole-4-carboxylate
PubChem CID30967826
Molecular FormulaC22H19FN2O3
Molecular Weight378.40 g/mol
Exact Mass378.14
IUPAC Name[(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 3-(4-fluorophenyl)imidazole-4-carboxylate
SMILESC[C@@H](OC(=O)c1cncn1-c1ccc(F)cc1)C(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C22H19FN2O3/c1-14(21(26)17-6-5-15-3-2-4-16(15)11-17)28-22(27)20-12-24-13-25(20)19-9-7-18(23)8-10-19/h5-14H,2-4H2,1H3/t14-/m1/s1
InChIKeyUXTFZYOVALVOHT-CQSZACIVSA-N
XLogP3.93
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 3-(4-fluorophenyl)imidazole-4-carboxylate with MolForge

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Related Compounds

(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 3-(4-fluorophenyl)imidazole-4-carboxylate
CID 55367281
[(2S)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204098
[1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 3-fluoro-4-methoxybenzoate
CID 43030638
[(2S)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 3,4-diethoxybenzoate
CID 7785718
[(2S)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2-chloro-6-fluorobenzoate
CID 7820398
[(2S)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2,3,6-trichlorobenzoate
CID 7170377
[(2S)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate
CID 7737773
[1-(4-nitroanilino)-1-oxopropan-2-yl] 3-(4-fluorophenyl)imidazole-4-carboxylate
CID 42918538
[(2S)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2-bromobenzoate
CID 7866252
[(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 4-nitrobenzoate
CID 7834734
[(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2,5-dimethylbenzoate
CID 7743797
[(2S)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 4-oxo-3H-phthalazine-1-carboxylate
CID 8785250

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 3-(4-fluorophenyl)imidazole-4-carboxylate?
The IUPAC name of [(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 3-(4-fluorophenyl)imidazole-4-carboxylate (CID 30967826) is [(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 3-(4-fluorophenyl)imidazole-4-carboxylate.
What is the SMILES notation for [(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 3-(4-fluorophenyl)imidazole-4-carboxylate?
The canonical SMILES for [(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 3-(4-fluorophenyl)imidazole-4-carboxylate is C[C@@H](OC(=O)c1cncn1-c1ccc(F)cc1)C(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of [(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 3-(4-fluorophenyl)imidazole-4-carboxylate?
The InChIKey is UXTFZYOVALVOHT-CQSZACIVSA-N. The full InChI is InChI=1S/C22H19FN2O3/c1-14(21(26)17-6-5-15-3-2-4-16(15)11-17)28-22(27)20-12-24-13-25(20)19-9-7-18(23)8-10-19/h5-14H,2-4H2,1H3/t14-/m1/s1.
What are the key properties of [(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 3-(4-fluorophenyl)imidazole-4-carboxylate?
[(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 3-(4-fluorophenyl)imidazole-4-carboxylate has a molecular weight of 378.40 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 3-(4-fluorophenyl)imidazole-4-carboxylate is sourced from PubChem (CID 30967826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).