1-(5-(2-(4-(1H-benzo[d]imidazole-2-carbonyl)phenoxy)pyridin-3-yl)-3,4-dihydropyridin-1(2H)-yl)ethanone

HCID 59326901

Notes Reactions

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Basic information

Standard SMILES: CC(=O)N1C=C(c2cccnc2Oc2ccc(C(=O)c3nc4ccccc4[nH]3)cc2)CCC1
InChIKey: JDLACFHGYMHKPJ-UHFFFAOYSA-N
Molecular formula: C26H22N4O3
Average molar mass: 438.5 g/mol

Names & identifiers

Preferred name: 1-(5-(2-(4-(1H-benzo[d]imidazole-2-carbonyl)phenoxy)pyridin-3-yl)-3,4-dihydropyridin-1(2H)-yl)ethanone
IUPAC: 1-[5-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]-3,4-dihydro-2H-pyridin-1-yl]ethanone

Names & synonyms

SCHEMBL2488077CHEMBL3690330JDLACFHGYMHKPJ-UHFFFAOYSA-NBDBM124494US8759532, 1681-(5-(2-(4-(1H-benzo[d]imidazole-2-carbonyl)phenoxy)pyridin-3-yl)-3,4-dihydropyridin-1(2H)-yl)ethanone

Database identifiers

PubChem CID: 59326901
ChEMBL: CHEMBL3690330

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 88.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 33
Formal charge: 0
Complexity: 748

Related reactions

2 records

New reaction record

HRID 410278As productuspto-grants-2014_06

HRID 1880143As productuspto-grants-2012_11

Compound notes

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