2-[(3-chloro-2-methylphenyl)sulfanylmethyl]-4,5-dihydro-1H-imidazole;hydrochloride

C11H14Cl2N2S — CID 14878238

IUPAC2-[(3-chloro-2-methylphenyl)sulfanylmethyl]-4,5-dihydro-1H-imidazole;hydrochloride
SMILESCc1c(Cl)cccc1SCC1=NCCN1.Cl
InChIInChI=1S/C11H13ClN2S.ClH/c1-8-9(12)3-2-4-10(8)15-7-11-13-5-6-14-11;/h2-4H,5-7H2,1H3,(H,13,14);1H
InChIKeyRBJFUVDSAHGPQK-UHFFFAOYSA-N
MW277.22 g/mol
LogP3.16
Rot. Bonds3

About 2-[(3-chloro-2-methylphenyl)sulfanylmethyl]-4,5-dihydro-1H-imidazole;hydrochloride

2-[(3-chloro-2-methylphenyl)sulfanylmethyl]-4,5-dihydro-1H-imidazole;hydrochloride (PubChem CID 14878238) has the molecular formula C11H14Cl2N2S and a molecular weight of 277.22 g/mol. Its IUPAC name is 2-[(3-chloro-2-methylphenyl)sulfanylmethyl]-4,5-dihydro-1H-imidazole;hydrochloride.

Molecular Properties

Compound Name2-[(3-chloro-2-methylphenyl)sulfanylmethyl]-4,5-dihydro-1H-imidazole;hydrochloride
PubChem CID14878238
Molecular FormulaC11H14Cl2N2S
Molecular Weight277.22 g/mol
Exact Mass276.03
IUPAC Name2-[(3-chloro-2-methylphenyl)sulfanylmethyl]-4,5-dihydro-1H-imidazole;hydrochloride
SMILESCc1c(Cl)cccc1SCC1=NCCN1.Cl
InChIInChI=1S/C11H13ClN2S.ClH/c1-8-9(12)3-2-4-10(8)15-7-11-13-5-6-14-11;/h2-4H,5-7H2,1H3,(H,13,14);1H
InChIKeyRBJFUVDSAHGPQK-UHFFFAOYSA-N
XLogP3.16
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.22
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-methylphenyl)sulfanylmethyl]-4,5-dihydro-1H-imidazole;hydrochloride?
The IUPAC name of 2-[(3-chloro-2-methylphenyl)sulfanylmethyl]-4,5-dihydro-1H-imidazole;hydrochloride (CID 14878238) is 2-[(3-chloro-2-methylphenyl)sulfanylmethyl]-4,5-dihydro-1H-imidazole;hydrochloride.
What is the SMILES notation for 2-[(3-chloro-2-methylphenyl)sulfanylmethyl]-4,5-dihydro-1H-imidazole;hydrochloride?
The canonical SMILES for 2-[(3-chloro-2-methylphenyl)sulfanylmethyl]-4,5-dihydro-1H-imidazole;hydrochloride is Cc1c(Cl)cccc1SCC1=NCCN1.Cl.
What is the InChIKey of 2-[(3-chloro-2-methylphenyl)sulfanylmethyl]-4,5-dihydro-1H-imidazole;hydrochloride?
The InChIKey is RBJFUVDSAHGPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2S.ClH/c1-8-9(12)3-2-4-10(8)15-7-11-13-5-6-14-11;/h2-4H,5-7H2,1H3,(H,13,14);1H.
What are the key properties of 2-[(3-chloro-2-methylphenyl)sulfanylmethyl]-4,5-dihydro-1H-imidazole;hydrochloride?
2-[(3-chloro-2-methylphenyl)sulfanylmethyl]-4,5-dihydro-1H-imidazole;hydrochloride has a molecular weight of 277.22 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-methylphenyl)sulfanylmethyl]-4,5-dihydro-1H-imidazole;hydrochloride is sourced from PubChem (CID 14878238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).