5-Iodo-1-methyl-1H-imidazole

C₄H₅IN₂CAS 71759-88-1208.00 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₅IN₂
Molar mass: 208.00 g/mol
Exact mass: 207.9497 Da
Melting point: 106–107 °C
logP: 1.02Crippen estimate
Polar surface area: 17.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H317 May cause an allergic skin reaction95.1% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P271, P272, P280, P302+P352, P304+P340, P319, P321, P332+P317, P333+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

71759-88-1

SMILES

Cn1cncc1I

InChIKey

DPUVICGLBCCTDM-UHFFFAOYSA-N

InChI

InChI=1S/C4H5IN2/c1-7-3-6-2-4(7)5/h2-3H,1H3

Weigh it out

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

Names and synonyms

3 names

1H-Imidazole, 5-iodo-1-methyl-
5-Iodo-1-methylimidazole
1-Methyl-5-iodoimidazole

Work with 5-Iodo-1-methyl-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

5-Chloro-1-methyl-1H-imidazole872-49-150 % similar 5-Bromo-1-methyl-1H-imidazole1003-21-048 % similar 1H-Imidazole, 5-chloro-1-methyl-, nitrate (1:1)4531-53-734 % similar 3-Methylhistidine368-16-131 % similar

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

Same formula

5-Iodo-2-methyl-1H-imidazole73746-45-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook