[3-(4,6-Dimethoxy-1H-benzoimidazol-2-yl)-propyl]-methyl-amine

HCID 68412866

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Basic information

CAS: 1075748-45-6
Standard SMILES: CNCCCc1nc2c(OC)cc(OC)cc2[nH]1
InChIKey: ZOOHMQGTAKGTMI-UHFFFAOYSA-N
Molecular formula: C13H19N3O2
Average molar mass: 249.31 g/mol
Monoisotopic mass: 249.14772686

Names & identifiers

Preferred name: [3-(4,6-Dimethoxy-1H-benzoimidazol-2-yl)-propyl]-methyl-amine
IUPAC: 3-(4,6-dimethoxy-1H-benzimidazol-2-yl)-N-methylpropan-1-amine

Names & synonyms

SCHEMBL2843323ZOOHMQGTAKGTMI-UHFFFAOYSA-NDTXSID9012158415,7-Dimethoxy-N-methyl-1H-benzimidazole-2-propanamine[3-(4,6-Dimethoxy-1H-benzoimidazol-2-yl)-propyl]-methyl-amine3-(4,6-dimethoxy-1H-benzimidazol-2-yl)-N-methylpropan-1-amine1075748-45-6

Database identifiers

CAS: 1075748-45-6
PubChem CID: 68412866
DTXSID: DTXSID901215841

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 59.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 18
Formal charge: 0
Complexity: 252

Related reactions

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HRID 220288As productuspto-grants-2012_06

Compound notes

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