N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-ethylsulfanylaniline;hydrochloride

C12H18ClN3S — CID 45264638

IUPACN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-ethylsulfanylaniline;hydrochloride
SMILESCCSc1ccccc1NCC1=NCCN1.Cl
InChIInChI=1S/C12H17N3S.ClH/c1-2-16-11-6-4-3-5-10(11)15-9-12-13-7-8-14-12;/h3-6,15H,2,7-9H2,1H3,(H,13,14);1H
InChIKeyJKURLTYDYMJPLW-UHFFFAOYSA-N
MW271.82 g/mol
LogP2.63
Rot. Bonds5

About N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-ethylsulfanylaniline;hydrochloride

N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-ethylsulfanylaniline;hydrochloride (PubChem CID 45264638) has the molecular formula C12H18ClN3S and a molecular weight of 271.82 g/mol. Its IUPAC name is N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-ethylsulfanylaniline;hydrochloride.

Molecular Properties

Compound NameN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-ethylsulfanylaniline;hydrochloride
PubChem CID45264638
Molecular FormulaC12H18ClN3S
Molecular Weight271.82 g/mol
Exact Mass271.09
IUPAC NameN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-ethylsulfanylaniline;hydrochloride
SMILESCCSc1ccccc1NCC1=NCCN1.Cl
InChIInChI=1S/C12H17N3S.ClH/c1-2-16-11-6-4-3-5-10(11)15-9-12-13-7-8-14-12;/h3-6,15H,2,7-9H2,1H3,(H,13,14);1H
InChIKeyJKURLTYDYMJPLW-UHFFFAOYSA-N
XLogP2.63
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.82
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-ethylsulfanylaniline;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-5-methyl-2-methylsulfanylaniline
CID 10934575
5-chloro-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-methylsulfanylaniline
CID 11109088
1H-Imidazole-2-methanamine, 4,5-dihydro-N-(2-(methylsulfonyl)phenyl)-
CID 9816461
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-5-fluoro-2-methylsulfonylaniline
CID 10199335
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-ethylsulfonylaniline
CID 10221004
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-fluoro-6-methylsulfonylaniline
CID 11058166
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-fluoro-2-methylsulfonylaniline
CID 11079593
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-fluoro-2-methylsulfonylaniline
CID 11090351
N-(4,5-Dihydro-1H-imidazol-2-ylmethyl)-2-(methylthio)aniline
CID 11108001
N-(4-methylsulfanylphenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 11390143
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-propan-2-ylsulfonylaniline
CID 11811395
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-propylsulfonylaniline;hydrochloride
CID 22493245

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-ethylsulfanylaniline;hydrochloride?
The IUPAC name of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-ethylsulfanylaniline;hydrochloride (CID 45264638) is N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-ethylsulfanylaniline;hydrochloride.
What is the SMILES notation for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-ethylsulfanylaniline;hydrochloride?
The canonical SMILES for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-ethylsulfanylaniline;hydrochloride is CCSc1ccccc1NCC1=NCCN1.Cl.
What is the InChIKey of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-ethylsulfanylaniline;hydrochloride?
The InChIKey is JKURLTYDYMJPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S.ClH/c1-2-16-11-6-4-3-5-10(11)15-9-12-13-7-8-14-12;/h3-6,15H,2,7-9H2,1H3,(H,13,14);1H.
What are the key properties of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-ethylsulfanylaniline;hydrochloride?
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-ethylsulfanylaniline;hydrochloride has a molecular weight of 271.82 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-ethylsulfanylaniline;hydrochloride is sourced from PubChem (CID 45264638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).