7-Methyl-2-propyl-1H-benzimidazole-5-carboxylic acid
Properties
- Molecular formula
- C12H14N2O2
- Molar mass
- 218.26 g/mol
- Exact mass
- 218.1055 Da
- Melting point
- 295–297 °C
- logP
- 2.52Crippen estimate
- Polar surface area
- 66.0 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 3
Hazards
Warning
- H302 Harmful if swallowed33.3% of notifiers
- H315 Causes skin irritation66.7% of notifiers
- H319 Causes serious eye irritation66.7% of notifiers
- H335 May cause respiratory irritation33.3% of notifiers
Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
152628-03-0SMILES
CCCc1nc2cc(C(=O)O)cc(C)c2[nH]1InChIKey
XWAJTVCEILFDGU-UHFFFAOYSA-NInChI
InChI=1S/C12H14N2O2/c1-3-4-10-13-9-6-8(12(15)16)5-7(2)11(9)14-10/h5-6H,3-4H2,1-2H3,(H,13,14)(H,15,16)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- 1H-Benzimidazole-5-carboxylic acid, 7-methyl-2-propyl-
- 4-Methyl-2-propyl-6-benzimidazolecarboxylic acid
- 2-Propyl-4-methylbenzimidazol-6-carboxylic acid
- 4-Methyl-2-propyl-1H-benzimidazole-6-carboxylic acid
- 7-Methyl-2-propyl-3H-benzimidazole-5-carboxylic acid
Work with 7-Methyl-2-propyl-1H-benzimidazole-5-carboxylic acid
Similar compounds
2-Propyl-1H-imidazole-4,5-dicarboxylic acid58954-23-749 % similar
4-Methyl-6-(1-methyl-1H-benzimidazol-2-yl)-2-propyl-1H-benzimidazole152628-02-947 % similar
4-Hydroxy-3,5-dimethylbenzoic acid4919-37-343 % similar
4-Propylbenzoic acid2438-05-342 % similar
2,6-Dimethylisonicotinic acid54221-93-141 % similar
4-Methoxy-3,5-dimethylbenzoic acid21553-46-840 % similar
4-Hydroxy-3-methylbenzoic acid499-76-340 % similar
3,4-Dimethylbenzoic acid619-04-540 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds