[4-Bromo-2-(4-isopropyl-phenyl)-7-methoxy-1-(2-methoxy-ethyl)-1H-benzoimidazol-5-yl]-(3-methoxy-phenyl)-methanol

HCID 57772052

Notes Reactions

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Basic information

Standard SMILES: COCCn1c(-c2ccc(C(C)C)cc2)nc2c(Br)c(C(O)c3cccc(OC)c3)cc(OC)c21
InChIKey: YDWAQZCFMRPRIT-UHFFFAOYSA-N
Molecular formula: C28H31BrN2O4
Average molar mass: 539.5 g/mol

Names & identifiers

Preferred name: [4-Bromo-2-(4-isopropyl-phenyl)-7-methoxy-1-(2-methoxy-ethyl)-1H-benzoimidazol-5-yl]-(3-methoxy-phenyl)-methanol
IUPAC: [4-bromo-7-methoxy-1-(2-methoxyethyl)-2-(4-propan-2-ylphenyl)benzimidazol-5-yl]-(3-methoxyphenyl)methanol

Names & synonyms

SCHEMBL2498154YDWAQZCFMRPRIT-UHFFFAOYSA-N[4-Bromo-2-(4-isopropyl-phenyl)-7-methoxy-1-(2-methoxy-ethyl)-1H-benzoimidazol-5-yl]-(3-methoxy-phenyl)-methanol

Database identifiers

PubChem CID: 57772052

Properties

Computed structural properties

XLogP: 5.5
Topological polar surface area: 65.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 9
Heavy atoms: 35
Formal charge: 0
Complexity: 646

Related reactions

3 records

New reaction record

HRID 1547225As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 1661929As reactantuspto-grants-2011_10

HRID 1661930As productuspto-grants-2011_10

Compound notes

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