4-(1-(1-(3-methoxy-4-((6-(trifluoromethyl)pyridin-3-yl)methoxy)phenyl)ethyl)-1H-benzo[d]imidazol-5-yl)but-3-yn-1-ol

HCID 118009839

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Basic information

Standard SMILES: COc1cc(C(C)n2cnc3cc(C#CCCO)ccc32)ccc1OCc1ccc(C(F)(F)F)nc1
InChIKey: IHVVNQIYQOLNQR-UHFFFAOYSA-N
Molecular formula: C27H24F3N3O3
Average molar mass: 495.5 g/mol
Monoisotopic mass: 495.17697612

Names & identifiers

Preferred name: 4-(1-(1-(3-methoxy-4-((6-(trifluoromethyl)pyridin-3-yl)methoxy)phenyl)ethyl)-1H-benzo[d]imidazol-5-yl)but-3-yn-1-ol
IUPAC: 4-[1-[1-[3-methoxy-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]ethyl]benzimidazol-5-yl]but-3-yn-1-ol

Names & synonyms

4-(1-(1-(3-methoxy-4-((6-(trifluoromethyl)pyridin-3-yl)methoxy)phenyl)ethyl)-1H-benzo[d]imidazol-5-yl)but-3-yn-1-olCHEMBL3678296SCHEMBL16763031BDBM164954US9067914, Ex. 3-48-2

Database identifiers

PubChem CID: 118009839
ChEMBL: CHEMBL3678296

Properties

Computed structural properties

XLogP: 4.7
Topological polar surface area: 69.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 8
Rotatable bonds: 8
Heavy atoms: 36
Formal charge: 0
Complexity: 770

Related reactions

1 records

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HRID 706515As productuspto-grants-2015_11

Compound notes

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