2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole;hydrochloride

C10H12Cl2N2S — CID 2936217

IUPAC2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole;hydrochloride
SMILESCl.Clc1ccccc1CSC1=NCCN1
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
LogP2.95
Rot. Bonds2

About 2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole;hydrochloride

2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole;hydrochloride (PubChem CID 2936217) 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-imidazole;hydrochloride.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole;hydrochloride
PubChem CID2936217
Molecular FormulaC10H12Cl2N2S
Molecular Weight263.19 g/mol
Exact Mass262.01
IUPAC Name2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole;hydrochloride
SMILESCl.Clc1ccccc1CSC1=NCCN1
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
XLogP2.95
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.19
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4,5-dihydro-1H-imidazole
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2-{[(2-fluorophenyl)methyl]sulfanyl}-4,5-dihydro-1H-imidazole
CID 573297
2-{[(3,4-dichlorophenyl)methyl]sulfanyl}-4,5-dihydro-1H-imidazole
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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
2-[(3,4-Dichlorophenyl)methylsulfanyl]-1,4,5,6-tetrahydropyrimidine;hydrochloride
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3-Chlorobenzyl 1,4,5,6-tetrahydro-2-pyrimidinyl sulfide
CID 9549733
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CID 23685

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole;hydrochloride?
The IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole;hydrochloride (CID 2936217) is 2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole;hydrochloride.
What is the SMILES notation for 2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole;hydrochloride?
The canonical SMILES for 2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole;hydrochloride is Cl.Clc1ccccc1CSC1=NCCN1.
What is the InChIKey of 2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole;hydrochloride?
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-imidazole;hydrochloride?
2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole;hydrochloride has a molecular weight of 263.19 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole;hydrochloride is sourced from PubChem (CID 2936217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).