1-(2-Chlorophenyl)imidazole

C9H7ClN2CAS 51581-50-1178.62 g/mol

Open in Covalent MOL file
NNCl
Aryl halide

Properties

Molecular formula
C9H7ClN2
Molar mass
178.62 g/mol
Exact mass
178.0298 Da
logP
2.53Crippen estimate
Polar surface area
17.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 5 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
51581-50-1
SMILES
C1=CC=C(C(=C1)N2C=CN=C2)Cl
InChIKey
ZGGZGKAVJNFVHE-UHFFFAOYSA-N
InChI
InChI=1S/C9H7ClN2/c10-8-3-1-2-4-9(8)12-6-5-11-7-12/h1-7H

Weigh it out

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

Work with 1-(2-Chlorophenyl)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

1,2,4,5-Tetra(1H-imidazol-1-yl)benzene1220714-37-357 % similar TRIM25371-96-453 % similar 1-Phenylimidazole7164-98-952 % similar 2-(1H-Imidazol-1-yl)benzoic acid159589-67-049 % similar 1-(3-Fluorophenyl)imidazole25372-42-347 % similar 1,3,5-Tri(1H-imidazol-1-yl)benzene528543-96-647 % similar Tris[4-(1H-imidazol-1-yl)-phenyl]amine1258947-79-344 % similar Clotrimazole23593-75-144 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Amino-7-chloroquinoline1198-40-9 5-Isoquinolinamine,3-chloro-(9ci)58142-49-7 3-(4-Chlorophenyl)-1H-pyrazole59843-58-2 4-Chloro-2-methylquinazoline6484-24-8

Elsewhere

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