1-(4-Methoxyphenyl)-1H-imidazole

C10H10N2OCAS 10040-95-6174.20 g/mol

Open in Covalent MOL file
ONN
Ether

Properties

Molecular formula
C10H10N2O
Molar mass
174.20 g/mol
Exact mass
174.0793 Da
Melting point
60–61 °C
logP
1.88Crippen estimate
Polar surface area
27.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
10040-95-6
SMILES
COc1ccc(-n2ccnc2)cc1
InChIKey
XNLOIFUGGCCEQX-UHFFFAOYSA-N
InChI
InChI=1S/C10H10N2O/c1-13-10-4-2-9(3-5-10)12-7-6-11-8-12/h2-8H,1H3

Weigh it out

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

Names and synonyms

5 names
  • 1H-Imidazole, 1-(4-methoxyphenyl)-
  • Imidazole, 1-(p-methoxyphenyl)-
  • 1-(4-Methoxyphenyl)imidazole
  • 1-(p-Methoxyphenyl)imidazole
  • N-(4-Methoxyphenyl)imidazole

Work with 1-(4-Methoxyphenyl)-1H-imidazole

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

4,4'-Di(1H-imidazol-1-yl)-1,1'-biphenyl855766-92-660 % similar 1-(4-Methoxyphenyl)-1H-pyrrole5145-71-158 % similar Tris[4-(1H-imidazol-1-yl)-phenyl]amine1258947-79-356 % similar 1-Phenylimidazole7164-98-955 % similar 1-(4-Bromophenyl)imidazole10040-96-755 % similar 4-(1H-Imidazol-1-yl)phenol10041-02-855 % similar 1-(4-Fluorophenyl)imidazole21441-24-755 % similar 4-(1H-Imidazol-1-yl)aniline2221-00-355 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(4-Pyrazol-1-ylphenyl)methanol143426-49-7 3-Methyl-1-phenylpyrazolone19735-89-8 7-Amino-4-methyl-2-quinolinone19840-99-4 4-Acetamidophenylacetonitrile25025-06-3 1,3-Dihydro-1-(1-methylethenyl)-2H-benzimidazol-2-one52099-72-6 3-(2-Hydroxy-5-methylphenyl)pyrazole57148-86-4 (4-(1H-Imidazol-1-yl)phenyl)methanol86718-08-3 Indole-3-acetamide879-37-8

Elsewhere

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