N-((1H-1,3-benzodiazol-2-yl)methyl)-2-methylpropanamide
Basic information
- CAS
500269-41-0- Standard SMILES
CC(C)C(=O)NCc1nc2ccccc2[nH]1- InChIKey
KBFKODIOYYFXAF-UHFFFAOYSA-N- Molecular formula
- C12H15N3O
- Average molar mass
- 217.27 g/mol
- Monoisotopic mass
- 217.12151211
Names & identifiers
- Preferred name
- N-((1H-1,3-benzodiazol-2-yl)methyl)-2-methylpropanamide
- IUPAC
- N-(1H-benzimidazol-2-ylmethyl)-2-methylpropanamide
- English name
- N-(1H-Benzimidazol-2-ylmethyl)-2-methylpropanamide
- Molecular formula
- C12H15N3O
- Molecular weight
- 217.27
Names & synonyms
500269-41-0N-[(1H-1,3-benzodiazol-2-yl)methyl]-2-methylpropanamideN-((1H-1,3-benzodiazol-2-yl)methyl)-2-methylpropanamideRefChem:822776995-947-8N-(1H-1,3-benzodiazol-2-ylmethyl)-2-methylpropanamideN-(1H-benzimidazol-2-ylmethyl)-2-methylpropanamideN-[(1H-benzimidazol-2-yl)methyl]-2-methylpropanamideW0VSCHEMBL13396939AVA26941SBB046209
Show more names
IFLAB-BB F1994-0022
STL300406AKOS000275544CS-0248032EN300-38864N-(benzimidazol-2-ylmethyl)-2-methylpropanamideN-((1H-benzo[d]imidazol-2-yl)methyl)isobutyramideZ26781943
Database identifiers
- CAS
500269-41-0- PubChem CID
- 949147
- EC Number
- 995-947-8
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 57.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 255
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
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, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
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Compound notes
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