1-(3-Chloropropyl)-1,3-dihydro-2H-benzimidazol-2-one

C₁₀H₁₁ClN₂OCAS 62780-89-6210.66 g/mol

Open in Covalent MOL file

Alkyl halide Phenol

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 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

Identifiers

CAS number

62780-89-6

SMILES

Oc1nc2ccccc2n1CCCCl

InChIKey

GUMPYDGUYXOYML-UHFFFAOYSA-N

InChI

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)

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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

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

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 2-Chloro-1-(4-fluorobenzyl)-1H-benzimidazole84946-20-335 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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