2-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl)-3,4-dihydroquinoline

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Basic information

CAS: 7471-18-3
Standard SMILES: c1ccc2c(c1)CCC(C1=NC3CCCCC3N1)=N2
InChIKey: YADXPDGXHQTMBQ-UHFFFAOYSA-N
Molecular formula: C16H19N3
Average molar mass: 253.34 g/mol
Monoisotopic mass: 253.15789762

Names & identifiers

Preferred name: 2-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl)-3,4-dihydroquinoline
IUPAC: 2-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl)-3,4-dihydroquinoline

Names & synonyms

7471-18-3NSC4035532-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl)-3,4-dihydroquinolineDTXSID60323308NSC-4035532-(3a,4,5,6,7,7a-Hexahydro-1H-1,3-benzimidazol-2-yl)-3,4-dihydroquinoline

Database identifiers

CAS: 7471-18-3
PubChem CID: 345778
DTXSID: DTXSID60323308

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 36.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 19
Formal charge: 0
Complexity: 412

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Compound notes

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