Ethyl 4-(1-hydroxy-1-methylethyl)-2-propyl-1H-imidazole-5-carboxylate

C₁₂H₂₀N₂O₃CAS 144689-93-0240.30 g/mol

Open in Covalent MOL file

Alcohol Ester

Properties

Molecular formula: C₁₂H₂₀N₂O₃
Molar mass: 240.30 g/mol
Exact mass: 240.1474 Da
logP: 1.77Crippen estimate
Polar surface area: 75.2 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 5

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation25% of notifiers
H317 May cause an allergic skin reaction12.5% of notifiers
H319 Causes serious eye irritation25% of notifiers
H335 May cause respiratory irritation25% of notifiers
H411 Toxic to aquatic life with long lasting effects12.5% of notifiers

Aggregated from 8 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

144689-93-0

SMILES

CCCc1nc(C(=O)OCC)c(C(C)(C)O)[nH]1

InChIKey

KZBJJAFGNMRRHN-UHFFFAOYSA-N

InChI

InChI=1S/C12H20N2O3/c1-5-7-8-13-9(11(15)17-6-2)10(14-8)12(3,4)16/h16H,5-7H2,1-4H3,(H,13,14)

Weigh it out

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

Names and synonyms

6 names

1H-Imidazole-5-carboxylic acid, 4-(1-hydroxy-1-methylethyl)-2-propyl-, ethyl ester
1H-Imidazole-4-carboxylic acid, 5-(1-hydroxy-1-methylethyl)-2-propyl-, ethyl ester
2-Propyl-5-(1-hydroxy-1-methylethyl)-3H-imidazole-4-carboxylic acid ethyl ester
Ethyl 4-(1-hydroxy-1-methylethyl)-2-propylimidazole-5-carboxylate
4-(1-Hydroxy-1-methylethyl)-2-propylimidazole-5-carboxylic acid ethyl ester
Ethyl 4-(2-hydroxypropan-2-yl)-2-propyl-1H-imidazole-5-carboxylate

Work with Ethyl 4-(1-hydroxy-1-methylethyl)-2-propyl-1H-imidazole-5-carboxylate

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

Diethyl 2-propylimidazole-4,5-dicarboxylate144689-94-163 % similar 2-Propyl-1H-imidazole-4,5-dicarboxylic acid dimethyl ester124750-59-045 % similar Ethyl 3-propyl-1H-pyrazole-5-carboxylate92945-27-242 % similar 2-Propyl-1H-imidazole-4,5-dicarboxylic acid58954-23-741 % similar Ethyl 5-bromo-6-methyl-2-oxo-1H-pyrazine-3-carboxylate1269026-22-337 % similar Diethyl 2,6-pyridinedicarboxylate15658-60-334 % similar 1H-Benzoimidazole-2-carboxylic acid ethyl ester1865-09-434 % similar Ethyl 3-indazolecarboxylate4498-68-434 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

tert-Butyl 6-oxo-2,7-diazaspiro[4.4]nonane-2-carboxylate1194376-44-7 tert-Butyl 2-oxo-1,7-diazaspiro(3.5)nonane-7-carboxylate392331-78-1

Elsewhere

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