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

HCID 57772077
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(O)c3ccccc3)cc(OC)c21
InChIKey
YQBIOFSEYCNNNF-UHFFFAOYSA-N
Molecular formula
C27H30N2O3
Average molar mass
430.5 g/mol

Names & identifiers

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

Names & synonyms

SCHEMBL2496702YQBIOFSEYCNNNF-UHFFFAOYSA-N[2-(4-Isopropyl-phenyl)-7-methoxy-1-(2-methoxy-ethyl)-1H-benzoimidazol-5-yl]-phenyl-methanol

Database identifiers

PubChem CID
57772077

Properties

Computed structural propertiesFilling in

XLogP
4.8
Topological polar surface area
56.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
8
Heavy atoms
32
Formal charge
0
Complexity
559

Related reactions

3 records
New reaction record
HRID 187137 reaction equation
HRID 187137As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 1661914 reaction equation
HRID 1661914As reactantuspto-grants-2011_10
HRID 1661915 reaction equation
HRID 1661915As productuspto-grants-2011_10

Compound notes

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