1-methyl-N-(thiophen-2-ylmethyl)benzimidazol-5-amine

HCID 866293

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Basic information

CAS: 488731-45-9
Standard SMILES: Cn1cnc2cc(NCc3cccs3)ccc21
InChIKey: YLBZKNMFTZNRGM-UHFFFAOYSA-N
Molecular formula: C13H13N3S
Average molar mass: 243.33 g/mol
Monoisotopic mass: 243.0830186

Names & identifiers

Preferred name: 1-methyl-N-(thiophen-2-ylmethyl)benzimidazol-5-amine
IUPAC: 1-methyl-N-(thiophen-2-ylmethyl)benzimidazol-5-amine

Names & synonyms

1-methyl-N-(thiophen-2-ylmethyl)benzimidazol-5-amine488731-45-9ChemDiv2_005705MLS000706451CHEMBL1331285DTXSID201325164HMS1385D07HMS2740B13STK032589AKOS000676087IDI1_004420SMR000288503

Show more names

AE-848/410782801-methyl-N-(thien-2-ylmethyl)-1H-benzimidazol-5-amine1-methyl-N-(thiophen-2-ylmethyl)-1H-benzimidazol-5-amine1-methyl-N-(thiophen-2-ylmethyl)-1H-benzo[d]imidazol-5-amine1-Methyl-N-[(thiophen-2-yl)methyl]-1H-benzimidazol-5-amine

Database identifiers

CAS: 488731-45-9
PubChem CID: 866293
DTXSID: DTXSID201325164
ChEMBL: CHEMBL1331285

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 58.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 17
Formal charge: 0
Complexity: 261

Experimental & physicochemical properties

Solubility27.1 [ug/mL] (The mean of the results at pH 7.4)

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