1-(3-Chloropropyl)-1,3-dihydro-2H-benzimidazol-2-one
Properties
- Molecular formula
- C10H11ClN2O
- Molar mass
- 210.66 g/mol
- Exact mass
- 210.0560 Da
- Melting point
- 118–120 °C
- logP
- 2.37Crippen estimate
- Polar surface area
- 38.0 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 3
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
- H315 Causes skin irritation12.5% of notifiers
- H317 May cause an allergic skin reaction75% of notifiers
- H319 Causes serious eye irritation12.5% of notifiers
- H335 May cause respiratory irritation12.5% of notifiers
- H341 Suspected of causing genetic defects75% of notifiers
- H373 May causes damage to organs through prolonged or repeated exposure75% of notifiers
- H412 Harmful to aquatic life with long lasting effects75% of notifiers
Aggregated from 8 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
62780-89-6SMILES
Oc1nc2ccccc2n1CCCClInChIKey
GUMPYDGUYXOYML-UHFFFAOYSA-NInChI
InChI=1S/C10H11ClN2O/c11-6-3-7-13-9-5-2-1-4-8(9)12-10(13)14/h1-2,4-5H,3,6-7H2,(H,12,14)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
3 names
- 2H-Benzimidazol-2-one, 1-(3-chloropropyl)-1,3-dihydro-
- 1-(3-Chloropropyl)-1,3-dihydrobenzimidazol-2-one
- 1-(3-Chloropropyl)-2,3-dihydro-1H-1,3-benzodiazol-2-one
Work with 1-(3-Chloropropyl)-1,3-dihydro-2H-benzimidazol-2-one
Similar compounds
Oxatomide60607-34-353 % similar
Domperidone57808-66-948 % similar
Flibanserin167933-07-545 % similar
1,3-Dihydro-1-(4-piperidinyl)-2H-benzimidazol-2-one20662-53-741 % similar
2H-Benzimidazol-2-one, 5-chloro-1-[1-[3-(2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)propyl]-4-piperidinyl]-1,3-dihydro-, (2Z)-2-butenedioate99497-03-740 % similar
1,3-Dihydro-1-(1-methylethenyl)-2H-benzimidazol-2-one52099-72-640 % similar
1-Ethyl-2-methyl-1H-benzimidazole5805-76-538 % similar
1-Propyl-1H-benzoimidazol-2-ylamine57667-50-238 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.