Exp3312
Basic information
- CAS
114798-35-5- Standard SMILES
CCCc1nc(Cl)c(C=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1- InChIKey
IMVDZFOSXJSXFP-UHFFFAOYSA-N- Molecular formula
- C21H19ClN6O
- Average molar mass
- 406.9 g/mol
- Monoisotopic mass
- 406.1308869
Overview
to search, use E#P3312(nm); antagonizes angiotensin receptor AII-1 site
Names & identifiers
- Preferred name
- Exp3312
- IUPAC
- 5-chloro-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carbaldehyde
Names & synonyms
Exp3312Exp 3312114798-35-5EXP-3312DTXSID201508541H-Imidazole-5-carboxaldehyde, 4-chloro-2-propyl-1-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-RefChem:139783DTXCID30733455-chloro-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carbaldehydeSCHEMBL9762-n-Propyl-4-chloro-1-((2'-(1H-tetrazol-5-yl)biphenyl-4-yl)methyl)imidazole-5-carboxylaldehydeL001961
Show more names
4-Chloro-2-propyl-1-{[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-1H-imidazole-5-carbaldehyde
Database identifiers
- CAS
114798-35-5- PubChem CID
- 196704
- DTXSID
DTXSID20150854- Nikkaji
- J544.074B
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 89.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 531
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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