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Details

Stereochemistry ACHIRAL
Molecular Formula C4H5ClN2.ClH
Molecular Weight 153.01
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(Chloromethyl)-1H-imidazole hydrochloride

SMILES

Cl.ClCC1=CN=CN1

InChI

InChIKey=FASMXPUFMXBVRL-UHFFFAOYSA-N
InChI=1S/C4H5ClN2.ClH/c5-1-4-2-6-3-7-4;/h2-3H,1H2,(H,6,7);1H

HIDE SMILES / InChI
Molecular Formula C4H5ClN2
Molecular Weight 116.549
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE
Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
149124
Substance Class Chemical
Created
by admin
on Tue Apr 01 19:51:18 GMT 2025
Edited
by admin
on Tue Apr 01 19:51:18 GMT 2025
Record UNII
4NDX35V56F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(Chloromethyl)-1H-imidazole hydrochloride
Systematic Name English
NSC-82914
Preferred Name English
1H-Imidazole, 5-(chloromethyl)-, hydrochloride (1:1)
Systematic Name English
1H-Imidazole, 5-(chloromethyl)-, hydrochloride
Systematic Name English
Imidazole, 4-chloromethyl-, hydrochloride
Systematic Name English
Code System Code Type Description
NSC
82914
Created by admin on Tue Apr 01 19:51:18 GMT 2025 , Edited by admin on Tue Apr 01 19:51:18 GMT 2025
PRIMARY
PUBCHEM
217324
Created by admin on Tue Apr 01 19:51:18 GMT 2025 , Edited by admin on Tue Apr 01 19:51:18 GMT 2025
PRIMARY
CAS
38585-61-4
Created by admin on Tue Apr 01 19:51:18 GMT 2025 , Edited by admin on Tue Apr 01 19:51:18 GMT 2025
PRIMARY
FDA UNII
4NDX35V56F
Created by admin on Tue Apr 01 19:51:18 GMT 2025 , Edited by admin on Tue Apr 01 19:51:18 GMT 2025
PRIMARY
EPA CompTox
DTXSID80191905
Created by admin on Tue Apr 01 19:51:18 GMT 2025 , Edited by admin on Tue Apr 01 19:51:18 GMT 2025
PRIMARY
Related Record Type Details
Structure of 4-(Chloromethyl)-1H-imidazole
PARENT -> SALT/SOLVATE
NIH
NCATS
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