2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole;hydrochloride

C10H11Cl3N2S — CID 5351706

IUPAC2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole;hydrochloride
SMILESCl.Clc1ccc(CSC2=NCCN2)cc1Cl
InChIInChI=1S/C10H10Cl2N2S.ClH/c11-8-2-1-7(5-9(8)12)6-15-10-13-3-4-14-10;/h1-2,5H,3-4,6H2,(H,13,14);1H
InChIKeyIJZBKEJUONYDFB-UHFFFAOYSA-N
MW297.64 g/mol
LogP3.61
Rot. Bonds2

About 2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole;hydrochloride

2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole;hydrochloride (PubChem CID 5351706) has the molecular formula C10H11Cl3N2S and a molecular weight of 297.64 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole;hydrochloride.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole;hydrochloride
PubChem CID5351706
Molecular FormulaC10H11Cl3N2S
Molecular Weight297.64 g/mol
Exact Mass295.97
IUPAC Name2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole;hydrochloride
SMILESCl.Clc1ccc(CSC2=NCCN2)cc1Cl
InChIInChI=1S/C10H10Cl2N2S.ClH/c11-8-2-1-7(5-9(8)12)6-15-10-13-3-4-14-10;/h1-2,5H,3-4,6H2,(H,13,14);1H
InChIKeyIJZBKEJUONYDFB-UHFFFAOYSA-N
XLogP3.61
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.64
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-chlorobenzyl)thio]-4,5-dihydro-1H-imidazole hydrochloride
CID 2936217
2-[(2-Chlorobenzyl)thio]-1,4,5,6-tetrahydropyrimidine hydrochloride
CID 2936645
3-(3,4-dichlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)acrylamide
CID 896331
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-{[(2-chlorophenyl)methyl]sulfanyl}-4,5-dihydro-1H-imidazole
CID 2806596
2-[(3,4-Dichlorophenyl)methylsulfanyl]-1,4,5,6-tetrahydropyrimidine;hydrochloride
CID 6602910
3-Chlorobenzyl 1,4,5,6-tetrahydro-2-pyrimidinyl sulfide
CID 9549733
2-{[(3-chlorophenyl)methyl]sulfanyl}-4,5-dihydro-1H-imidazole
CID 23685
N-[(3,4-dichlorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 12623046
2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazol-3-ium chloride
CID 2806595
2-Imidazoline, 2-((m-chlorobenzyl)thio)-, monohydrobromide
CID 23684

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole;hydrochloride?
The IUPAC name of 2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole;hydrochloride (CID 5351706) is 2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole;hydrochloride.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole;hydrochloride?
The canonical SMILES for 2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole;hydrochloride is Cl.Clc1ccc(CSC2=NCCN2)cc1Cl.
What is the InChIKey of 2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole;hydrochloride?
The InChIKey is IJZBKEJUONYDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N2S.ClH/c11-8-2-1-7(5-9(8)12)6-15-10-13-3-4-14-10;/h1-2,5H,3-4,6H2,(H,13,14);1H.
What are the key properties of 2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole;hydrochloride?
2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole;hydrochloride has a molecular weight of 297.64 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole;hydrochloride is sourced from PubChem (CID 5351706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).