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

C10H12ClFN2S — CID 2921931

IUPAC2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole;hydrochloride
SMILESCl.Fc1ccccc1CSC1=NCCN1
InChIInChI=1S/C10H11FN2S.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
InChIKeyWQRHYTYFICBZSY-UHFFFAOYSA-N
MW246.74 g/mol
LogP2.44
Rot. Bonds2

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

2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole;hydrochloride (PubChem CID 2921931) has the molecular formula C10H12ClFN2S and a molecular weight of 246.74 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole;hydrochloride.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole;hydrochloride
PubChem CID2921931
Molecular FormulaC10H12ClFN2S
Molecular Weight246.74 g/mol
Exact Mass246.04
IUPAC Name2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole;hydrochloride
SMILESCl.Fc1ccccc1CSC1=NCCN1
InChIInChI=1S/C10H11FN2S.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
InChIKeyWQRHYTYFICBZSY-UHFFFAOYSA-N
XLogP2.44
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-(2-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine
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(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
N-(4-fluorobenzyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 2997276
(2-fluorophenyl)methyl N-cyano-N'-propan-2-ylcarbamimidothioate
CID 660679
benzyl N-cyano-N'-prop-2-enylcarbamimidothioate
CID 5100562
2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4,5-dihydro-1H-imidazole
CID 724187
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

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole;hydrochloride?
The IUPAC name of 2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole;hydrochloride (CID 2921931) is 2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole;hydrochloride.
What is the SMILES notation for 2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole;hydrochloride?
The canonical SMILES for 2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole;hydrochloride is Cl.Fc1ccccc1CSC1=NCCN1.
What is the InChIKey of 2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole;hydrochloride?
The InChIKey is WQRHYTYFICBZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2S.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-fluorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole;hydrochloride?
2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole;hydrochloride has a molecular weight of 246.74 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole;hydrochloride is sourced from PubChem (CID 2921931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).