1,3-Dihydro-5-[1-[(3-methylbutyl)amino]ethyl]-2H-benzimidazol-2-one
Basic information
- CAS
1038216-79-3- Standard SMILES
CC(C)CCNC(C)c1ccc2[nH]c(=O)[nH]c2c1- InChIKey
BKFUUYILMKGOTL-UHFFFAOYSA-N- Molecular formula
- C14H21N3O
- Average molar mass
- 247.34 g/mol
- Monoisotopic mass
- 247.1684623
Names & identifiers
- Preferred name
- 1,3-Dihydro-5-[1-[(3-methylbutyl)amino]ethyl]-2H-benzimidazol-2-one
- IUPAC
- 5-[1-(3-methylbutylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
Names & synonyms
DTXSID1011610961,3-Dihydro-5-[1-[(3-methylbutyl)amino]ethyl]-2H-benzimidazol-2-one1038216-79-35-{1-[(3-Methylbutyl)amino]ethyl}-1,3-dihydro-2H-benzimidazol-2-one
Database identifiers
- CAS
1038216-79-3- PubChem CID
- 43201072
- DTXSID
DTXSID101161096
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 53.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 293
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Compound notes
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