Methyl 1-(1,2,3,4,4a,9,9a,10-octahydroanthracen-9-yl)-imidazole-5-carboxylate

HCID 20041828
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Basic information

Standard SMILES
COC(=O)c1cncn1C1c2ccccc2CC2CCCCC21
InChIKey
AFOOHRGLUVIJGG-UHFFFAOYSA-N
Molecular formula
C19H22N2O2
Average molar mass
310.4 g/mol

Names & identifiers

Preferred name
Methyl 1-(1,2,3,4,4a,9,9a,10-octahydroanthracen-9-yl)-imidazole-5-carboxylate
IUPAC
methyl 3-(1,2,3,4,4a,9,9a,10-octahydroanthracen-9-yl)imidazole-4-carboxylate

Names & synonyms

SCHEMBL10558830AFOOHRGLUVIJGG-UHFFFAOYSA-Nmethyl 1-(1,2,3,4,4a,9,9a,10-octahydroanthracen-9-yl)-imidazole-5-carboxylate

Database identifiers

PubChem CID
20041828

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
44.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
23

Related reactions

1 records
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Compound notes

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