2-[5-chloro-2-(2-methylprop-2-enylsulfanyl)phenyl]-4,5-dihydro-1H-imidazole;hydrochloride

C13H16Cl2N2S — CID 23320410

IUPAC2-[5-chloro-2-(2-methylprop-2-enylsulfanyl)phenyl]-4,5-dihydro-1H-imidazole;hydrochloride
SMILESC=C(C)CSc1ccc(Cl)cc1C1=NCCN1.Cl
InChIInChI=1S/C13H15ClN2S.ClH/c1-9(2)8-17-12-4-3-10(14)7-11(12)13-15-5-6-16-13;/h3-4,7H,1,5-6,8H2,2H3,(H,15,16);1H
InChIKeyFCSZGDHIWPJEEM-UHFFFAOYSA-N
MW303.26 g/mol
LogP3.78
Rot. Bonds4

About 2-[5-chloro-2-(2-methylprop-2-enylsulfanyl)phenyl]-4,5-dihydro-1H-imidazole;hydrochloride

2-[5-chloro-2-(2-methylprop-2-enylsulfanyl)phenyl]-4,5-dihydro-1H-imidazole;hydrochloride (PubChem CID 23320410) has the molecular formula C13H16Cl2N2S and a molecular weight of 303.26 g/mol. Its IUPAC name is 2-[5-chloro-2-(2-methylprop-2-enylsulfanyl)phenyl]-4,5-dihydro-1H-imidazole;hydrochloride.

Molecular Properties

Compound Name2-[5-chloro-2-(2-methylprop-2-enylsulfanyl)phenyl]-4,5-dihydro-1H-imidazole;hydrochloride
PubChem CID23320410
Molecular FormulaC13H16Cl2N2S
Molecular Weight303.26 g/mol
Exact Mass302.04
IUPAC Name2-[5-chloro-2-(2-methylprop-2-enylsulfanyl)phenyl]-4,5-dihydro-1H-imidazole;hydrochloride
SMILESC=C(C)CSc1ccc(Cl)cc1C1=NCCN1.Cl
InChIInChI=1S/C13H15ClN2S.ClH/c1-9(2)8-17-12-4-3-10(14)7-11(12)13-15-5-6-16-13;/h3-4,7H,1,5-6,8H2,2H3,(H,15,16);1H
InChIKeyFCSZGDHIWPJEEM-UHFFFAOYSA-N
XLogP3.78
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.26
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-(2-methylprop-2-enylsulfanyl)phenyl]-4,5-dihydro-1H-imidazole;hydrochloride?
The IUPAC name of 2-[5-chloro-2-(2-methylprop-2-enylsulfanyl)phenyl]-4,5-dihydro-1H-imidazole;hydrochloride (CID 23320410) is 2-[5-chloro-2-(2-methylprop-2-enylsulfanyl)phenyl]-4,5-dihydro-1H-imidazole;hydrochloride.
What is the SMILES notation for 2-[5-chloro-2-(2-methylprop-2-enylsulfanyl)phenyl]-4,5-dihydro-1H-imidazole;hydrochloride?
The canonical SMILES for 2-[5-chloro-2-(2-methylprop-2-enylsulfanyl)phenyl]-4,5-dihydro-1H-imidazole;hydrochloride is C=C(C)CSc1ccc(Cl)cc1C1=NCCN1.Cl.
What is the InChIKey of 2-[5-chloro-2-(2-methylprop-2-enylsulfanyl)phenyl]-4,5-dihydro-1H-imidazole;hydrochloride?
The InChIKey is FCSZGDHIWPJEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2S.ClH/c1-9(2)8-17-12-4-3-10(14)7-11(12)13-15-5-6-16-13;/h3-4,7H,1,5-6,8H2,2H3,(H,15,16);1H.
What are the key properties of 2-[5-chloro-2-(2-methylprop-2-enylsulfanyl)phenyl]-4,5-dihydro-1H-imidazole;hydrochloride?
2-[5-chloro-2-(2-methylprop-2-enylsulfanyl)phenyl]-4,5-dihydro-1H-imidazole;hydrochloride has a molecular weight of 303.26 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-(2-methylprop-2-enylsulfanyl)phenyl]-4,5-dihydro-1H-imidazole;hydrochloride is sourced from PubChem (CID 23320410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).