2-Butyl-5-chloro-1H-imidazole-4-methanol

C₈H₁₃ClN₂OCAS 79047-41-9188.66 g/mol

Open in Covalent MOL file

Alcohol Aryl halide

Properties

Molecular formula: C₈H₁₃ClN₂O
Molar mass: 188.66 g/mol
Exact mass: 188.0716 Da
logP: 1.90Crippen estimate
Polar surface area: 48.9 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 4

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 40 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

79047-41-9

SMILES

CCCCc1nc(CO)c(Cl)[nH]1

InChIKey

DXSZKDOOHOBZMT-UHFFFAOYSA-N

InChI

InChI=1S/C8H13ClN2O/c1-2-3-4-7-10-6(5-12)8(9)11-7/h12H,2-5H2,1H3,(H,10,11)

Weigh it out

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

Names and synonyms

8 names

1H-Imidazole-4-methanol, 2-butyl-5-chloro-
2-Butyl-4-chloro-5-(hydroxymethyl)imidazole
2-Butyl-5-chloroimidazole-4-methanol
2-Butyl-4-chloro-5-hydroxymethyl-1H-imidazole
2-n-Butyl-4-chloro-5-(hydroxymethyl)imidazole
5-Chloro-2-butylimidazole-4-methanol
(2-Butyl-4-chloro-1H-imidazol-5-yl)methanol
(2-Butyl-5-chloro-1H-imidazol-4-yl)methanol

Work with 2-Butyl-5-chloro-1H-imidazole-4-methanol

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

2-Butyl-4-chloro-5-formylimidazole83857-96-954 % similar 2-Butyl-5-hydroxymethylimidazole68283-19-246 % similar 2-Pentyl-1H-benzimidazole5851-46-740 % similar 2-Heptylbenzimidazole5851-49-039 % similar 2-Butyl-1H-imidazole50790-93-734 % similar 2-Butyl-1H-imidazole-5-carboxaldehyde68282-49-533 % similar 2-Propyl-1H-benzimidazole5465-29-233 % similar 5-Butyl-2-chloropyrimidine847227-37-632 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-(Aminomethyl)-4,6-dimethyl-1,2-dihydropyridin-2-one hydrochloride1173081-96-3 (4-Methoxybenzyl)hydrazine hydrochloride2011-48-5

Elsewhere

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