2-Butyl-4-chloro-5-formylimidazole

C₈H₁₁ClN₂OCAS 83857-96-9186.64 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide

Properties

Molecular formula: C₈H₁₁ClN₂O
Molar mass: 186.64 g/mol
Exact mass: 186.0560 Da
Melting point: 93 °C
logP: 2.22Crippen estimate
Polar surface area: 45.8 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 4

Hazards

Warning

H317 May cause an allergic skin reactionSensitization, Skin
H411 Toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 613-156-00-5), via PubChem.

Precautionary statements

P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, P501

Identifiers

CAS number

83857-96-9

SMILES

CCCCc1nc(C=O)c(Cl)[nH]1

InChIKey

JLVIHQCWASNXCK-UHFFFAOYSA-N

InChI

InChI=1S/C8H11ClN2O/c1-2-3-4-7-10-6(5-12)8(9)11-7/h5H,2-4H2,1H3,(H,10,11)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

16 names · show all

1H-Imidazole-4-carboxaldehyde, 2-butyl-5-chloro-
2-Butyl-5-chloro-1H-imidazole-4-carboxaldehyde
2-Butyl-5-chloroimidazole-4-carboxaldehyde
2-Butyl-4-chloroimidazole-5-carboxaldehyde
2-Butyl-5-formyl-4-chloroimidazole
2-n-Butyl-4-chloro-5-imidazolecarboxaldehyde
2-Butyl-4-chloroimidazole-5-carbaldehyde
2-n-Butyl-5-chlorimidazole-4-carbaldehyde
2-Butyl-5-chloroimidazole-4-carbaldehyde
2-Butyl-4-chloro-1H-imidazolyl-5-carboxaldehyde
2-Butyl-5-chloro-3H-imidazole-4-carboxaldehyde
2-Butyl-4-chloro-1H-imidazole-5-carboxaldehyde
4-Chloro-2-n-butylimidazole-5-carboxaldehyde
2-Butyl-5-chloro-4-formylimidazole
2-Butyl-4-chloro-1H-imidazole-5-carbaldehyde
2-Butyl-5-chloro-1H-imidazole-4-carbaldehyde

Work with 2-Butyl-4-chloro-5-formylimidazole

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

2-Butyl-5-chloro-1H-imidazole-4-methanol79047-41-954 % similar 2-Butyl-1H-imidazole-5-carboxaldehyde68282-49-548 % similar 2-Pentyl-1H-benzimidazole5851-46-739 % similar 2-Heptylbenzimidazole5851-49-038 % similar 4-Butylbenzaldehyde1200-14-237 % similar 2-Butyl-1H-imidazole50790-93-733 % similar 2-Butyl-5-hydroxymethylimidazole68283-19-233 % similar 4-Pentylbenzaldehyde6853-57-233 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-(3-Aminophenyl)acetamide hydrochloride621-35-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook