1-(1H-imidazol-5-ylmethyl)-3-(3-methylsulfanylphenyl)imidazolidin-2-one;hydrochloride

C14H17ClN4OS — CID 67571881

IUPAC1-(1H-imidazol-5-ylmethyl)-3-(3-methylsulfanylphenyl)imidazolidin-2-one;hydrochloride
SMILESCSc1cccc(N2CCN(Cc3cnc[nH]3)C2=O)c1.Cl
InChIInChI=1S/C14H16N4OS.ClH/c1-20-13-4-2-3-12(7-13)18-6-5-17(14(18)19)9-11-8-15-10-16-11;/h2-4,7-8,10H,5-6,9H2,1H3,(H,15,16);1H
InChIKeyKDWIOQOTWRYLQE-UHFFFAOYSA-N
MW324.84 g/mol
LogP3.00
Rot. Bonds4

About 1-(1H-imidazol-5-ylmethyl)-3-(3-methylsulfanylphenyl)imidazolidin-2-one;hydrochloride

1-(1H-imidazol-5-ylmethyl)-3-(3-methylsulfanylphenyl)imidazolidin-2-one;hydrochloride (PubChem CID 67571881) has the molecular formula C14H17ClN4OS and a molecular weight of 324.84 g/mol. Its IUPAC name is 1-(1H-imidazol-5-ylmethyl)-3-(3-methylsulfanylphenyl)imidazolidin-2-one;hydrochloride.

Molecular Properties

Compound Name1-(1H-imidazol-5-ylmethyl)-3-(3-methylsulfanylphenyl)imidazolidin-2-one;hydrochloride
PubChem CID67571881
Molecular FormulaC14H17ClN4OS
Molecular Weight324.84 g/mol
Exact Mass324.08
IUPAC Name1-(1H-imidazol-5-ylmethyl)-3-(3-methylsulfanylphenyl)imidazolidin-2-one;hydrochloride
SMILESCSc1cccc(N2CCN(Cc3cnc[nH]3)C2=O)c1.Cl
InChIInChI=1S/C14H16N4OS.ClH/c1-20-13-4-2-3-12(7-13)18-6-5-17(14(18)19)9-11-8-15-10-16-11;/h2-4,7-8,10H,5-6,9H2,1H3,(H,15,16);1H
InChIKeyKDWIOQOTWRYLQE-UHFFFAOYSA-N
XLogP3.00
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.84
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-ylmethyl)-3-(3-methylsulfanylphenyl)imidazolidin-2-one;hydrochloride?
The IUPAC name of 1-(1H-imidazol-5-ylmethyl)-3-(3-methylsulfanylphenyl)imidazolidin-2-one;hydrochloride (CID 67571881) is 1-(1H-imidazol-5-ylmethyl)-3-(3-methylsulfanylphenyl)imidazolidin-2-one;hydrochloride.
What is the SMILES notation for 1-(1H-imidazol-5-ylmethyl)-3-(3-methylsulfanylphenyl)imidazolidin-2-one;hydrochloride?
The canonical SMILES for 1-(1H-imidazol-5-ylmethyl)-3-(3-methylsulfanylphenyl)imidazolidin-2-one;hydrochloride is CSc1cccc(N2CCN(Cc3cnc[nH]3)C2=O)c1.Cl.
What is the InChIKey of 1-(1H-imidazol-5-ylmethyl)-3-(3-methylsulfanylphenyl)imidazolidin-2-one;hydrochloride?
The InChIKey is KDWIOQOTWRYLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS.ClH/c1-20-13-4-2-3-12(7-13)18-6-5-17(14(18)19)9-11-8-15-10-16-11;/h2-4,7-8,10H,5-6,9H2,1H3,(H,15,16);1H.
What are the key properties of 1-(1H-imidazol-5-ylmethyl)-3-(3-methylsulfanylphenyl)imidazolidin-2-one;hydrochloride?
1-(1H-imidazol-5-ylmethyl)-3-(3-methylsulfanylphenyl)imidazolidin-2-one;hydrochloride has a molecular weight of 324.84 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-5-ylmethyl)-3-(3-methylsulfanylphenyl)imidazolidin-2-one;hydrochloride is sourced from PubChem (CID 67571881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).