2-Propyl-1H-benzimidazole
Properties
- Molecular formula
- C10H12N2
- Molar mass
- 160.22 g/mol
- Exact mass
- 160.1000 Da
- Melting point
- 152–153 °C
- Boiling point
- 220 °C
- logP
- 2.52Crippen estimate
- Polar surface area
- 28.7 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 2
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from the 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
5465-29-2SMILES
CCCc1nc2ccccc2[nH]1InChIKey
FBLJZPQLNMVEMR-UHFFFAOYSA-NInChI
InChI=1S/C10H12N2/c1-2-5-10-11-8-6-3-4-7-9(8)12-10/h3-4,6-7H,2,5H2,1H3,(H,11,12)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- 1H-Benzimidazole, 2-propyl-
- Benzimidazole, 2-propyl-
- 2-Propylbenzimidazole
- NSC 28962
- NSC 40172
- 2-Propyl-1H-1,3-benzodiazole
Work with 2-Propyl-1H-benzimidazole
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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
2-Pentyl-1H-benzimidazole5851-46-777 % similar
2-Heptylbenzimidazole5851-49-075 % similar
2-Ethylbenzimidazole1848-84-667 % similar
1H-Benzimidazole-2-propanol2403-66-959 % similar
2-(Hydroxymethyl)-1H-benzimidazole4856-97-756 % similar
2-Chloromethylbenzimidazole4857-04-956 % similar
Dibazole621-72-755 % similar
1H-Benzimidazole-2-acetonitrile4414-88-453 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds