HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program:[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

Benzyl((1-(triphenylmethyl)imidazol-2-yl)methyl)amine

HCID 21982904
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
c1ccc(CNCc2nccn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIKey
VPTNVMPNLKDNNA-UHFFFAOYSA-N
Molecular formula
C30H27N3
Average molar mass
429.6 g/mol
Monoisotopic mass
429.22049787

Names & identifiers

Preferred name
Benzyl((1-(triphenylmethyl)imidazol-2-yl)methyl)amine
IUPAC
1-phenyl-N-[(1-tritylimidazol-2-yl)methyl]methanamine

Names & synonyms

SCHEMBL5972839VPTNVMPNLKDNNA-UHFFFAOYSA-NBenzy1((1-(triphenylmethyl)imidazol-2-yl)methyl)aminebenzyl((1-(triphenylmethyl)imidazol-2-yl)methyl)amine

Database identifiers

PubChem CID
21982904

Properties

Computed structural properties

XLogP
5.7
Topological polar surface area
29.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
8
Heavy atoms
33
Formal charge
0
Complexity
507

Related reactions

2 records
New reaction record
HRID 411783 reaction equation
HRID 411783As productuspto-grants-2003_05
HRID 2326273 reaction equation
HRID 2326273As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes