1-(4-methylphenyl)-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine

C13H19N3S — CID 79504944

IUPAC1-(4-methylphenyl)-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine
SMILESCSCCC1CN=C(N)N1c1ccc(C)cc1
InChIInChI=1S/C13H19N3S/c1-10-3-5-11(6-4-10)16-12(7-8-17-2)9-15-13(16)14/h3-6,12H,7-9H2,1-2H3,(H2,14,15)
InChIKeyFRXWNYMVLXFCET-UHFFFAOYSA-N
MW249.38 g/mol
LogP2.25
Rot. Bonds4

About 1-(4-methylphenyl)-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine

1-(4-methylphenyl)-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine (PubChem CID 79504944) has the molecular formula C13H19N3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 1-(4-methylphenyl)-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-(4-methylphenyl)-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine
PubChem CID79504944
Molecular FormulaC13H19N3S
Molecular Weight249.38 g/mol
Exact Mass249.13
IUPAC Name1-(4-methylphenyl)-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine
SMILESCSCCC1CN=C(N)N1c1ccc(C)cc1
InChIInChI=1S/C13H19N3S/c1-10-3-5-11(6-4-10)16-12(7-8-17-2)9-15-13(16)14/h3-6,12H,7-9H2,1-2H3,(H2,14,15)
InChIKeyFRXWNYMVLXFCET-UHFFFAOYSA-N
XLogP2.25
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-(4-methylphenyl)-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine (CID 79504944) is 1-(4-methylphenyl)-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-(4-methylphenyl)-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-(4-methylphenyl)-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine is CSCCC1CN=C(N)N1c1ccc(C)cc1.
What is the InChIKey of 1-(4-methylphenyl)-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is FRXWNYMVLXFCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S/c1-10-3-5-11(6-4-10)16-12(7-8-17-2)9-15-13(16)14/h3-6,12H,7-9H2,1-2H3,(H2,14,15).
What are the key properties of 1-(4-methylphenyl)-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine?
1-(4-methylphenyl)-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 249.38 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79504944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).