Ethyl 2-pyridin-2-yl-1-(2-pyridin-4-ylethyl)benzimidazole-5-carboxylate

HCID 337753

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Basic information

CAS: 80477-89-0
Standard SMILES: CCOC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2CCc1ccncc1
InChIKey: KGAPBJBIOIXGDB-UHFFFAOYSA-N
Molecular formula: C22H20N4O2
Average molar mass: 372.4 g/mol
Monoisotopic mass: 372.15862589

Names & identifiers

Preferred name: Ethyl 2-pyridin-2-yl-1-(2-pyridin-4-ylethyl)benzimidazole-5-carboxylate
IUPAC: ethyl 2-pyridin-2-yl-1-(2-pyridin-4-ylethyl)benzimidazole-5-carboxylate

Names & synonyms

NSC35679180477-89-0ethyl 2-pyridin-2-yl-1-(2-pyridin-4-ylethyl)benzimidazole-5-carboxylateDTXSID80320253NSC-356791ethyl 2-(2-pyridyl)-1-[2-(4-pyridyl)ethyl]benzimidazole-5-carboxylateEthyl 2-(pyridin-2-yl)-1-[2-(pyridin-4-yl)ethyl]-1H-1,3-benzimidazole-5-carboxylate1H-Benzimidazole-5-carboxylic acid, 2-(2-pyridinyl)-1-[2-(4-pyridinyl)ethyl]-, ethyl ester

Database identifiers

CAS: 80477-89-0
PubChem CID: 337753
DTXSID: DTXSID80320253

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 69.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 7
Heavy atoms: 28
Formal charge: 0
Complexity: 511

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