(S)-tert-Butyl 2-(5-(4-bromophenyl)-1H-imidazol-2-yl)pyrrolidine-1-carboxylate

C18H22BrN3O2CAS 1007882-04-3392.30 g/mol

Open in Covalent MOL file
OONNNHBr
Aryl halideCarbamate

Properties

Molecular formula
C18H22BrN3O2
Molar mass
392.30 g/mol
Exact mass
391.0895 Da
logP
4.91Crippen estimate
Polar surface area
58.2 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2
Stereocentres
Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
1007882-04-3
SMILES
CC(C)(C)OC(=O)N1CCC[C@H]1C2=NC=C(N2)C3=CC=C(C=C3)Br
InChIKey
SEJWRHUDDTVGHP-HNNXBMFYSA-N
InChI
InChI=1S/C18H22BrN3O2/c1-18(2,3)24-17(23)22-10-4-5-15(22)16-20-11-14(21-16)12-6-8-13(19)9-7-12/h6-9,11,15H,4-5,10H2,1-3H3,(H,20,21)/t15-/m0/s1

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Work with (S)-tert-Butyl 2-(5-(4-bromophenyl)-1H-imidazol-2-yl)pyrrolidine-1-carboxylate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,1-Dimethylethyl (2S)-2-(5-bromo-1H-imidazol-2-yl)-1-pyrrolidinecarboxylate1007882-59-870 % similar Daclatasvir1009119-64-549 % similar tert-Butyl (S)-3-(4-bromophenyl)piperidine-1-carboxylate1476776-55-247 % similar Daclatasvir dihydrochloride1009119-65-647 % similar 1-Boc-4-(4-bromo-phenylamino)-piperidine443998-65-043 % similar tert-Butyl 4-(4-bromophenyl)piperazine-1-carboxylate352437-09-342 % similar 4-(4-Bromopyrazol-1-yl)piperidine-1-carboxylic acid tert-butyl ester877399-50-340 % similar 1,1-Dimethylethyl (2S)-2-formyl-1-pyrrolidinecarboxylate69610-41-940 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,1-Dimethylethyl (1R,3S,4S)-3-(6-bromo-1H-benzimidazol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate1256387-74-2

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