4-(1,1-Dimethylethyl)-1H-imidazole-5-carboxaldehyde

C8H12N2OCAS 714273-83-3152.20 g/mol

Open in Covalent MOL file
NHNO
Aldehyde

Properties

Molecular formula
C8H12N2O
Molar mass
152.20 g/mol
Exact mass
152.0950 Da
logP
1.52Crippen estimate
Polar surface area
45.8 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

Identifiers

CAS number
714273-83-3
SMILES
CC(C)(C)C1=C(N=CN1)C=O
InChIKey
FSTXHTKEZGSDNN-UHFFFAOYSA-N
InChI
InChI=1S/C8H12N2O/c1-8(2,3)7-6(4-11)9-5-10-7/h4-5H,1-3H3,(H,9,10)

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Names and synonyms

1 names
  • 1H-Imidazole-4-carboxaldehyde, 5-(1,1-dimethylethyl)- (9ci)

Work with 4-(1,1-Dimethylethyl)-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

5-Methyl-1H-imidazole-4-carbaldehyde68282-53-153 % similar Plinabulin714272-27-242 % similar 3,5-Bis(tert-butyl)benzaldehyde17610-00-334 % similar 4-tert-Butylbenzaldehyde939-97-934 % similar 4,6-Dihydroxy-5-formylpyrimidine14256-99-633 % similar 1H-Benzimidazole-6-carboxaldehyde58442-17-433 % similar Imidazole-2-carboxaldehyde10111-08-732 % similar 4-Amino-6-chloro-5-pyrimidinecarboxaldehyde14160-93-132 % 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 2-Butyl-1H-imidazole-5-carboxaldehyde68282-49-5 3-(Aminomethyl)-4,6-dimethyl-1,2-dihydropyridin-2-one771579-27-2

Elsewhere

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