U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C7H12N2
Molecular Weight 124.1836
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-BUTYLIMIDAZOLE

SMILES

CCCCN1C=CN=C1

InChI

InChIKey=MCMFEZDRQOJKMN-UHFFFAOYSA-N
InChI=1S/C7H12N2/c1-2-3-5-9-6-4-8-7-9/h4,6-7H,2-3,5H2,1H3

HIDE SMILES / InChI

Molecular Formula C7H12N2
Molecular Weight 124.1836
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 18:38:11 GMT 2025
Edited
by admin
on Tue Apr 01 18:38:11 GMT 2025
Record UNII
C7JXC99E8F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-BUTYLIMIDAZOLE
Systematic Name English
NSC-158165
Preferred Name English
1-N-BUTYLIMIDAZOLE
Common Name English
1H-IMIDAZOLE, 1-BUTYL-
Systematic Name English
1-BUTYL-1H-IMIDAZOLE
Systematic Name English
Code System Code Type Description
PUBCHEM
61347
Created by admin on Tue Apr 01 18:38:11 GMT 2025 , Edited by admin on Tue Apr 01 18:38:11 GMT 2025
PRIMARY
NSC
158165
Created by admin on Tue Apr 01 18:38:11 GMT 2025 , Edited by admin on Tue Apr 01 18:38:11 GMT 2025
PRIMARY
ECHA (EC/EINECS)
224-335-9
Created by admin on Tue Apr 01 18:38:11 GMT 2025 , Edited by admin on Tue Apr 01 18:38:11 GMT 2025
PRIMARY
CHEMBL
97667
Created by admin on Tue Apr 01 18:38:11 GMT 2025 , Edited by admin on Tue Apr 01 18:38:11 GMT 2025
PRIMARY
EPA CompTox
DTXSID8073976
Created by admin on Tue Apr 01 18:38:11 GMT 2025 , Edited by admin on Tue Apr 01 18:38:11 GMT 2025
PRIMARY
CAS
4316-42-1
Created by admin on Tue Apr 01 18:38:11 GMT 2025 , Edited by admin on Tue Apr 01 18:38:11 GMT 2025
PRIMARY
FDA UNII
C7JXC99E8F
Created by admin on Tue Apr 01 18:38:11 GMT 2025 , Edited by admin on Tue Apr 01 18:38:11 GMT 2025
PRIMARY