chempirical

1-Benzyl-1H-imidazole-5-carboxaldehyde

C11H10N2OCAS 85102-99-4186.21 g/mol

Open in Covalent MOL file
NNO
Aldehyde

Properties

Molecular formula
C11H10N2O
Molar mass
186.21 g/mol
Exact mass
186.0793 Da
logP
1.74Crippen estimate
Polar surface area
34.9 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Hazards

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

Identifiers

CAS number
85102-99-4
SMILES
C1=CC=C(C=C1)CN2C=NC=C2C=O
InChIKey
QONDAZCJAPQGRX-UHFFFAOYSA-N
InChI
InChI=1S/C11H10N2O/c14-8-11-6-12-9-13(11)7-10-4-2-1-3-5-10/h1-6,8-9H,7H2

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Work with 1-Benzyl-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

N,N-Dimethyl-1-(phenylmethyl)-1H-imidazole-5-carboxamide850429-56-049 % similar 1-Benzyl-1H-indole-3-carbaldehyde10511-51-045 % similar 1-Methyl-1H-imidazole-5-carbaldehyde39021-62-043 % similar 1-Benzylimidazole4238-71-538 % similar 1-Benzyl-2-methylimidazole13750-62-436 % similar 1-Benzylindole3377-71-735 % similar Benzyl formate104-57-434 % similar 1-Benzyl-1H-indazol-3-ol2215-63-634 % similar

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

Same formula

1-[4-(1H-Imidazol-1-yl)phenyl]ethanone10041-06-2 6-Methoxy-1H-indole-3-acetonitrile23084-35-7 2-(5-Methoxy-1H-indol-3-yl)acetonitrile2436-17-1 6'-Methoxy-2,3'-bipyridyl381725-49-1 2-Naphthoic acid hydrazide39627-84-4 1-Naphthoic hydrazide43038-45-5 3-Acetyl-2-methyl-1,6-naphthyridine52816-65-6 1-Benzyl-1H-pyrazole-4-carbaldehyde63874-95-3

Elsewhere

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