2-(4-isopropyl-phenyl)-7-methoxy-1-(2-methoxy-ethyl)-1H-benzoimidazole-5-carbaldehyde

HCID 57772046

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: COCCn1c(-c2ccc(C(C)C)cc2)nc2cc(C=O)cc(OC)c21
InChIKey: LAHPBEBFLZTSID-UHFFFAOYSA-N
Molecular formula: C21H24N2O3
Average molar mass: 352.4 g/mol

Names & identifiers

Preferred name: 2-(4-isopropyl-phenyl)-7-methoxy-1-(2-methoxy-ethyl)-1H-benzoimidazole-5-carbaldehyde
IUPAC: 7-methoxy-1-(2-methoxyethyl)-2-(4-propan-2-ylphenyl)benzimidazole-5-carbaldehyde

Names & synonyms

2-(4-isopropyl-phenyl)-7-methoxy-1-(2-methoxy-ethyl)-1H-benzoimidazole-5-carbaldehydeSCHEMBL2499282LAHPBEBFLZTSID-UHFFFAOYSA-N860466-55-3DB-337660

Database identifiers

PubChem CID: 57772046

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 53.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 7
Heavy atoms: 26
Formal charge: 0
Complexity: 451

Related reactions

8 records

New reaction record

HRID 187137As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 938326As reactantValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1561577As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 1661915As reactantuspto-grants-2011_10

HRID 1661916As productuspto-grants-2011_10

HRID 1661933As reactantuspto-grants-2011_10

HRID 1661945As reactantuspto-grants-2011_10

HRID 1661946As productuspto-grants-2011_10

Compound notes

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