[(1R)-1-(4-fluorophenyl)-2-imidazol-1-ylethyl] N-(4-propan-2-ylphenyl)carbamate

C21H22FN3O2 — CID 118708810

IUPAC[(1R)-1-(4-fluorophenyl)-2-imidazol-1-ylethyl] N-(4-propan-2-ylphenyl)carbamate
SMILESCC(C)c1ccc(NC(=O)O[C@@H](Cn2ccnc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H22FN3O2/c1-15(2)16-5-9-19(10-6-16)24-21(26)27-20(13-25-12-11-23-14-25)17-3-7-18(22)8-4-17/h3-12,14-15,20H,13H2,1-2H3,(H,24,26)/t20-/m0/s1
InChIKeyOMXCIRVMHPGVCD-FQEVSTJZSA-N
MW367.42 g/mol
LogP5.14
Rot. Bonds6

About [(1R)-1-(4-fluorophenyl)-2-imidazol-1-ylethyl] N-(4-propan-2-ylphenyl)carbamate

[(1R)-1-(4-fluorophenyl)-2-imidazol-1-ylethyl] N-(4-propan-2-ylphenyl)carbamate (PubChem CID 118708810) has the molecular formula C21H22FN3O2 and a molecular weight of 367.42 g/mol. Its IUPAC name is [(1R)-1-(4-fluorophenyl)-2-imidazol-1-ylethyl] N-(4-propan-2-ylphenyl)carbamate.

Molecular Properties

Compound Name[(1R)-1-(4-fluorophenyl)-2-imidazol-1-ylethyl] N-(4-propan-2-ylphenyl)carbamate
PubChem CID118708810
Molecular FormulaC21H22FN3O2
Molecular Weight367.42 g/mol
Exact Mass367.17
IUPAC Name[(1R)-1-(4-fluorophenyl)-2-imidazol-1-ylethyl] N-(4-propan-2-ylphenyl)carbamate
SMILESCC(C)c1ccc(NC(=O)O[C@@H](Cn2ccnc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H22FN3O2/c1-15(2)16-5-9-19(10-6-16)24-21(26)27-20(13-25-12-11-23-14-25)17-3-7-18(22)8-4-17/h3-12,14-15,20H,13H2,1-2H3,(H,24,26)/t20-/m0/s1
InChIKeyOMXCIRVMHPGVCD-FQEVSTJZSA-N
XLogP5.14
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.42
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1s)-1-(4-Chlorophenyl)-2-(1h-Imidazol-1-Yl)ethyl [4-(Propan-2-Yl)phenyl]carbamate
CID 71816500
(1s)-1-(4-Fluorophenyl)-2-(1h-Imidazol-1-Yl)ethyl 4-Isopropylphenylcarbamate
CID 76871876
Phenyl-carbamic acid 4-(1H-imidazol-4-ylmethyl)-benzyl ester
CID 23368213
[1-(4-fluorophenyl)-2-imidazol-1-yl-ethyl] N-(4-isopropylphenyl)carbamate
CID 57379744
[1-(4-chlorophenyl)-2-imidazol-1-yl-ethyl] N-(4-isopropylphenyl)carbamate
CID 57379745
[(1R)-1-(4-chlorophenyl)-2-imidazol-1-ylethyl] N-(4-propan-2-ylphenyl)carbamate
CID 73354949
[1-(4-fluorophenyl)-2-imidazol-1-yl-ethyl] N-[4-(4-ethylsulfonylpiperazin-1-yl)phenyl]carbamate
CID 90682603
(2-imidazol-1-yl-1-phenylethyl) N-benzylcarbamate
CID 164610409
[4''-(1H-Imidazol-1-yl-propyl)-biphenyl-4-yl]-carbamic acid tert-butyl ester
CID 44586764
[1-(4-Fluorophenyl)-2-imidazol-1-yl-ethyl] 4-(4-nitrophenyl)piperazine-1-carboxylate
CID 90682596
[(1R)-1-(4-fluorophenyl)-2-imidazol-1-ylethyl] 4-(4-nitrophenyl)piperazine-1-carboxylate
CID 127031078
[(1S)-1-(4-fluorophenyl)-2-imidazol-1-ylethyl] 4-(4-nitrophenyl)piperazine-1-carboxylate
CID 127031079

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(4-fluorophenyl)-2-imidazol-1-ylethyl] N-(4-propan-2-ylphenyl)carbamate?
The IUPAC name of [(1R)-1-(4-fluorophenyl)-2-imidazol-1-ylethyl] N-(4-propan-2-ylphenyl)carbamate (CID 118708810) is [(1R)-1-(4-fluorophenyl)-2-imidazol-1-ylethyl] N-(4-propan-2-ylphenyl)carbamate.
What is the SMILES notation for [(1R)-1-(4-fluorophenyl)-2-imidazol-1-ylethyl] N-(4-propan-2-ylphenyl)carbamate?
The canonical SMILES for [(1R)-1-(4-fluorophenyl)-2-imidazol-1-ylethyl] N-(4-propan-2-ylphenyl)carbamate is CC(C)c1ccc(NC(=O)O[C@@H](Cn2ccnc2)c2ccc(F)cc2)cc1.
What is the InChIKey of [(1R)-1-(4-fluorophenyl)-2-imidazol-1-ylethyl] N-(4-propan-2-ylphenyl)carbamate?
The InChIKey is OMXCIRVMHPGVCD-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H22FN3O2/c1-15(2)16-5-9-19(10-6-16)24-21(26)27-20(13-25-12-11-23-14-25)17-3-7-18(22)8-4-17/h3-12,14-15,20H,13H2,1-2H3,(H,24,26)/t20-/m0/s1.
What are the key properties of [(1R)-1-(4-fluorophenyl)-2-imidazol-1-ylethyl] N-(4-propan-2-ylphenyl)carbamate?
[(1R)-1-(4-fluorophenyl)-2-imidazol-1-ylethyl] N-(4-propan-2-ylphenyl)carbamate has a molecular weight of 367.42 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(4-fluorophenyl)-2-imidazol-1-ylethyl] N-(4-propan-2-ylphenyl)carbamate is sourced from PubChem (CID 118708810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).