2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazol-3-ium chloride

C10H12Cl2N2S — CID 2806595

IUPAC2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazol-3-ium chloride
SMILESClc1ccccc1CSC1=[NH+]CCN1.[Cl-]
InChIInChI=1S/C10H11ClN2S.ClH/c11-9-4-2-1-3-8(9)7-14-10-12-5-6-13-10;/h1-4H,5-7H2,(H,12,13);1H
InChIKeyYRPRWAAQLVWVMW-UHFFFAOYSA-N
MW263.19 g/mol
LogP-2.38
Rot. Bonds2

About 2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazol-3-ium chloride

2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazol-3-ium chloride (PubChem CID 2806595) has the molecular formula C10H12Cl2N2S and a molecular weight of 263.19 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazol-3-ium chloride.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazol-3-ium chloride
PubChem CID2806595
Molecular FormulaC10H12Cl2N2S
Molecular Weight263.19 g/mol
Exact Mass262.01
IUPAC Name2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazol-3-ium chloride
SMILESClc1ccccc1CSC1=[NH+]CCN1.[Cl-]
InChIInChI=1S/C10H11ClN2S.ClH/c11-9-4-2-1-3-8(9)7-14-10-12-5-6-13-10;/h1-4H,5-7H2,(H,12,13);1H
InChIKeyYRPRWAAQLVWVMW-UHFFFAOYSA-N
XLogP-2.38
TPSA26.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.19
LogP ≤ 5-2.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chlorobenzyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 2996926
2-[(2-chlorobenzyl)thio]-4,5-dihydro-1H-imidazole hydrochloride
CID 2936217
2-[(2-Chlorobenzyl)thio]-1,4,5,6-tetrahydropyrimidine hydrochloride
CID 2936645
2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4,5-dihydro-1H-imidazole
CID 724187
2-{[(3,4-dichlorophenyl)methyl]sulfanyl}-4,5-dihydro-1H-imidazole
CID 409779
2-Thiazoline, 2-((o-chlorobenzyl)amino)-
CID 3055295
2-{[(2-chlorophenyl)methyl]sulfanyl}-4,5-dihydro-1H-imidazole
CID 2806596
2-chlorobenzyl N'-cyano-N-prop-2-en-1-ylcarbamimidothioate
CID 660766
2-chloro-6-fluorobenzyl N'-cyano-N-ethylimidothiocarbamate
CID 4290043
3-Chlorobenzyl 1,4,5,6-tetrahydro-2-pyrimidinyl sulfide
CID 9549733
2-{[(3-chlorophenyl)methyl]sulfanyl}-4,5-dihydro-1H-imidazole
CID 23685
2-benzylsulfanyl-4,5-dihydro-1H-imidazole Hydrochloride
CID 2806593

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazol-3-ium chloride?
The IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazol-3-ium chloride (CID 2806595) is 2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazol-3-ium chloride.
What is the SMILES notation for 2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazol-3-ium chloride?
The canonical SMILES for 2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazol-3-ium chloride is Clc1ccccc1CSC1=[NH+]CCN1.[Cl-].
What is the InChIKey of 2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazol-3-ium chloride?
The InChIKey is YRPRWAAQLVWVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2S.ClH/c11-9-4-2-1-3-8(9)7-14-10-12-5-6-13-10;/h1-4H,5-7H2,(H,12,13);1H.
What are the key properties of 2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazol-3-ium chloride?
2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazol-3-ium chloride has a molecular weight of 263.19 g/mol, XLogP of -2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazol-3-ium chloride is sourced from PubChem (CID 2806595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).