HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.8.0
  1. Home
  2. /Compound

1-Ethyl-3-[3-(ethylamino)-1-phenylpropyl]benzimidazol-2-one

HCID 16069012
New noteNew reactionRequest quotes
Print preview
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCNCCC(c1ccccc1)n1c(=O)n(CC)c2ccccc21
InChIKey
ZOJBCUHWLQNKOW-UHFFFAOYSA-N
Molecular formula
C20H25N3O
Average molar mass
323.4 g/mol

Names & identifiers

Preferred name
1-Ethyl-3-[3-(ethylamino)-1-phenylpropyl]benzimidazol-2-one
IUPAC
1-ethyl-3-[3-(ethylamino)-1-phenylpropyl]benzimidazol-2-one

Names & synonyms

SCHEMBL3147137

Database identifiers

PubChem CID
16069012

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
35.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
7
Heavy atoms
24
Formal charge
0
Complexity
408

Related reactions

1 records
New reaction record
HRID 668194 reaction equation
HRID 668194As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes
More actions
New noteNew reactionRequest quotes