3-{4-[6-(4-tert-butylphenylcarbamoyl)-1H-benzimidazol-2-yl]-3,5-dimethylphenyl}-propionic acid methyl ester

HCID 66965641
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Basic information

Standard SMILES
COC(=O)CCc1cc(C)c(-c2nc3ccc(C(=O)Nc4ccc(C(C)(C)C)cc4)cc3[nH]2)c(C)c1
InChIKey
FDPNATXDVKVOMF-UHFFFAOYSA-N
Molecular formula
C30H33N3O3
Average molar mass
483.6 g/mol

Names & identifiers

Preferred name
3-{4-[6-(4-tert-butylphenylcarbamoyl)-1H-benzimidazol-2-yl]-3,5-dimethylphenyl}-propionic acid methyl ester
IUPAC
methyl 3-[4-[6-[(4-tert-butylphenyl)carbamoyl]-1H-benzimidazol-2-yl]-3,5-dimethylphenyl]propanoate

Names & synonyms

SCHEMBL1250372FDPNATXDVKVOMF-UHFFFAOYSA-N3-{4-[6-(4-tert-butylphenylcarbamoyl)-1H-benzimidazol-2-yl]-3,5-dimethylphenyl}-propionic acid methyl ester

Database identifiers

PubChem CID
66965641

Properties

Computed structural properties

XLogP
6.5
Topological polar surface area
84.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
8
Heavy atoms
36

Related reactions

3 records
New reaction record

Compound notes

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