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

HCID 57772065
NotesReactions

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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COCCn1c(-c2ccc(C(C)C)cc2)nc2cc(C(C)O)cc(OC)c21
InChIKey
ULPIKFSYVATUHV-UHFFFAOYSA-N
Molecular formula
C22H28N2O3
Average molar mass
368.5 g/mol

Names & identifiers

Preferred name
1-[2-(4-isopropyl-phenyl)-7-methoxy-1-(2-methoxy-ethyl)-1H-benzoimidazol-5-yl]-ethanol
IUPAC
1-[7-methoxy-1-(2-methoxyethyl)-2-(4-propan-2-ylphenyl)benzimidazol-5-yl]ethanol

Names & synonyms

SCHEMBL2495098ULPIKFSYVATUHV-UHFFFAOYSA-N1-[2-(4-isopropyl-phenyl)-7-methoxy-1-(2-methoxy-ethyl)-1H-benzoimidazol-5-yl]-ethanol

Database identifiers

PubChem CID
57772065

Properties

Computed structural propertiesFilling in

XLogP
3.5
Topological polar surface area
56.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
7
Heavy atoms
27
Formal charge
0
Complexity
453

Related reactions

4 records
New reaction record
HRID 123896 reaction equation
HRID 123896As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 938326 reaction equation
HRID 938326As productValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1661932 reaction equation
HRID 1661932As reactantuspto-grants-2011_10
HRID 1661933 reaction equation
HRID 1661933As productuspto-grants-2011_10

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes