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

Details

Stereochemistry RACEMIC
Molecular Formula C13H15ClN2O.ClH
Molecular Weight 287.185
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(4-chlorophenyl)-1-(1H-imidazol-1-yl)-2-butanol hydrochloride

SMILES

Cl.OC(CCC1=CC=C(Cl)C=C1)CN2C=CN=C2

InChI

InChIKey=FOWKIYODNNRJDZ-UHFFFAOYSA-N
InChI=1S/C13H15ClN2O.ClH/c14-12-4-1-11(2-5-12)3-6-13(17)9-16-8-7-15-10-16;/h1-2,4-5,7-8,10,13,17H,3,6,9H2;1H

HIDE SMILES / InChI

Molecular Formula C13H15ClN2O
Molecular Weight 250.724
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

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

Substance Class Chemical
Created
by admin
on Sat Dec 16 20:21:48 GMT 2023
Edited
by admin
on Sat Dec 16 20:21:48 GMT 2023
Record UNII
7Q547N2HJ2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(4-chlorophenyl)-1-(1H-imidazol-1-yl)-2-butanol hydrochloride
Systematic Name English
1H-Imidazole-1-ethanol, α-[2-(4-chlorophenyl)ethyl]-, hydrochloride (1:1)
Systematic Name English
4-(4-Chlorophenyl)-1-(1H-imidazol-1-yl)butan-2-ol hydrochloride
Systematic Name English
1H-Imidazole-1-ethanol, α-[2-(4-chlorophenyl)ethyl]-, monohydrochloride
Systematic Name English
Code System Code Type Description
PUBCHEM
20282236
Created by admin on Sat Dec 16 20:21:48 GMT 2023 , Edited by admin on Sat Dec 16 20:21:48 GMT 2023
PRIMARY
CAS
98569-22-3
Created by admin on Sat Dec 16 20:21:48 GMT 2023 , Edited by admin on Sat Dec 16 20:21:48 GMT 2023
PRIMARY
FDA UNII
7Q547N2HJ2
Created by admin on Sat Dec 16 20:21:48 GMT 2023 , Edited by admin on Sat Dec 16 20:21:48 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE