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

C11H15ClN2S — CID 2806592

IUPAC2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole;hydrochloride
SMILESCc1ccc(CSC2=NCCN2)cc1.Cl
InChIInChI=1S/C11H14N2S.ClH/c1-9-2-4-10(5-3-9)8-14-11-12-6-7-13-11;/h2-5H,6-8H2,1H3,(H,12,13);1H
InChIKeyMHMZRBDKCIRTFQ-UHFFFAOYSA-N
MW242.78 g/mol
LogP2.61
Rot. Bonds2

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

2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole;hydrochloride (PubChem CID 2806592) has the molecular formula C11H15ClN2S and a molecular weight of 242.78 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole;hydrochloride.

Molecular Properties

Compound Name2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole;hydrochloride
PubChem CID2806592
Molecular FormulaC11H15ClN2S
Molecular Weight242.78 g/mol
Exact Mass242.06
IUPAC Name2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole;hydrochloride
SMILESCc1ccc(CSC2=NCCN2)cc1.Cl
InChIInChI=1S/C11H14N2S.ClH/c1-9-2-4-10(5-3-9)8-14-11-12-6-7-13-11;/h2-5H,6-8H2,1H3,(H,12,13);1H
InChIKeyMHMZRBDKCIRTFQ-UHFFFAOYSA-N
XLogP2.61
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.78
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-Dihydro-N-((4-methylphenyl)methyl)-2-thiazolamine
CID 2737945
5-methyl-N-(2-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 2966629
(4,5-Dihydro-thiazol-2-yl)-phenethyl-amine
CID 2404807
2-[(2-chlorobenzyl)thio]-4,5-dihydro-1H-imidazole hydrochloride
CID 2936217
4H-1,3-Thiazin-2-amine, 5,6-dihydro-N-(2-phenylethyl)-
CID 2363238
benzyl N-cyano-N'-prop-2-enylcarbamimidothioate
CID 5100562
4-(2-Imidazolin-2-ylthiomethyl)benzenecarbonitrile
CID 727439
2-([(2-Fluorophenyl)methyl]sulfanyl)-4,5-dihydro-1H-imidazole
CID 573297
2-(Benzylthio)-1,4,5,6-tetrahydropyrimidine hydrochloride
CID 2936783
4-((4,5-dihydro-1H-imidazol-2-ylthio)methyl)benzonitrile hydrobromide
CID 16195986
(5r)-5-Methyl-N-(2-Phenylethyl)-4,5-Dihydro-1,3-Thiazol-2-Amine
CID 934585
2-{[(2-chlorophenyl)methyl]sulfanyl}-4,5-dihydro-1H-imidazole
CID 2806596

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole;hydrochloride?
The IUPAC name of 2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole;hydrochloride (CID 2806592) is 2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole;hydrochloride.
What is the SMILES notation for 2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole;hydrochloride?
The canonical SMILES for 2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole;hydrochloride is Cc1ccc(CSC2=NCCN2)cc1.Cl.
What is the InChIKey of 2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole;hydrochloride?
The InChIKey is MHMZRBDKCIRTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S.ClH/c1-9-2-4-10(5-3-9)8-14-11-12-6-7-13-11;/h2-5H,6-8H2,1H3,(H,12,13);1H.
What are the key properties of 2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole;hydrochloride?
2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole;hydrochloride has a molecular weight of 242.78 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole;hydrochloride is sourced from PubChem (CID 2806592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).