2-butyl-4-chloro-5-hydroxymethyl-1-[(2'-(1-(4-nitrophenyl)-1H-tetrazol-5-yl)biphenyl-4-yl)methyl]imidazole

HCID 19935781
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2-c2nnnn2-c2ccc([N+](=O)[O-])cc2)cc1
InChIKey
NMBKHIQURWAWJK-UHFFFAOYSA-N
Molecular formula
C28H26ClN7O3
Average molar mass
544 g/mol

Names & identifiers

Preferred name
2-butyl-4-chloro-5-hydroxymethyl-1-[(2'-(1-(4-nitrophenyl)-1H-tetrazol-5-yl)biphenyl-4-yl)methyl]imidazole
IUPAC
[2-butyl-5-chloro-3-[[4-[2-[1-(4-nitrophenyl)tetrazol-5-yl]phenyl]phenyl]methyl]imidazol-4-yl]methanol

Names & synonyms

SCHEMBL9140184NMBKHIQURWAWJK-UHFFFAOYSA-N2-butyl-4-chloro-5-hydroxymethyl-1-[(2'-(1-(4-nitrophenyl)-1H-tetrazol-5-yl)biphenyl-4-yl)methyl]imidazole

Database identifiers

PubChem CID
19935781

Properties

Computed structural properties

XLogP
5.9
Topological polar surface area
127 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
9
Heavy atoms
39

Related reactions

3 records
New reaction record

Compound notes

Loading…