2-Butyl-1H-imidazole-5-carboxaldehyde

C₈H₁₂N₂OCAS 68282-49-5152.20 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₂N₂O
Molar mass: 152.20 g/mol
Exact mass: 152.0950 Da
logP: 1.56Crippen estimate
Polar surface area: 45.8 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 4

Hazards

Warning

H317 May cause an allergic skin reaction92.3% of notifiers
H412 Harmful to aquatic life with long lasting effects84.6% of notifiers

Aggregated from 13 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

68282-49-5

SMILES

CCCCc1ncc(C=O)[nH]1

InChIKey

PTHGVOCFAZSNNA-UHFFFAOYSA-N

InChI

InChI=1S/C8H12N2O/c1-2-3-4-8-9-5-7(6-11)10-8/h5-6H,2-4H2,1H3,(H,9,10)

Weigh it out

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

Names and synonyms

11 names

1H-Imidazole-5-carboxaldehyde, 2-butyl-
2-Butyl-1H-imidazole-4-carbaldehyde
2-Butyl-1H-imidazole-5-carbaldehyde
1H-Imidazole-4-carboxaldehyde, 2-butyl-
2-n-Butyl-4-imidazolecarboxaldehyde
2-Butyl-5-formylimidazole
2-n-Butyl-5-imidazolecarboxaldehyde
2-n-Butyl-4-formylimidazole
2-Butyl-1H-imidazole-4-carboxaldehyde
2-Butyl-4-formylimidazole
2-Butyl-3H-imidazole-4-carboxaldehyde

Work with 2-Butyl-1H-imidazole-5-carboxaldehyde

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-hydroxymethylimidazole68283-19-251 % similar 2-Butyl-4-chloro-5-formylimidazole83857-96-948 % similar 2-Methyl-1H-imidazole-4-carboxaldehyde35034-22-147 % similar 4-Butylbenzaldehyde1200-14-246 % similar 2-Butyl-1H-imidazole50790-93-742 % similar 4-Pentylbenzaldehyde6853-57-241 % similar 4-Propylbenzaldehyde28785-06-037 % similar 2-Undecylimidazole16731-68-337 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-(N-Methyl-N-(2-pyridyl)amino)ethanol122321-04-4 β-Oxo-1-piperidinepropanenitrile15029-30-8 Isopropyl methoxypyrazine25773-40-4 2-Isopropyl-6-methyl-4-pyrimidinol2814-20-2 2-Ethoxy-3-ethylpyrazine35243-43-7 1-(Tetrahydro-2H-pyran-2-yl)-1H-pyrazole449758-17-2 4-(1,1-Dimethylethyl)-1H-imidazole-5-carboxaldehyde714273-83-3 3-(Aminomethyl)-4,6-dimethyl-1,2-dihydropyridin-2-one771579-27-2

Elsewhere

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