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

2-Cyclopropyl-4-bromo-5-aminobenzimidazole

HCID 178507330
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Nc1ccc2nc(C3CC3)[nH]c2c1Br
InChIKey
YHYCXRWVVOTQRQ-UHFFFAOYSA-N
Molecular formula
C10H10BrN3
Average molar mass
252.11 g/mol
Monoisotopic mass
251.00581

Names & identifiers

Preferred name
2-Cyclopropyl-4-bromo-5-aminobenzimidazole
IUPAC
4-bromo-2-cyclopropyl-1H-benzimidazol-5-amine

Names & synonyms

SCHEMBL7033440SCHEMBL7033444YHYCXRWVVOTQRQ-UHFFFAOYSA-N2-Cyclopropyl-4-bromo-5-aminobenzimidazole

Database identifiers

PubChem CID
18379892

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
54.7 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
14
Formal charge
0
Complexity
231

Related reactions

5 records
New reaction record
HRID 429573 reaction equation
HRID 429573As productuspto-grants-2001_11
HRID 1137544 reaction equation
HRID 1137544As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 2186101 reaction equation
HRID 2186101As productuspto-grants-2002_06
HRID 2299152 reaction equation
HRID 2299152As productuspto-grants-2002_12
HRID 2304735 reaction equation
HRID 2304735As productuspto-grants-2002_08

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes