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

C9H19N3S — CID 79510524

IUPAC5-(2-methylsulfanylethyl)-1-propyl-4,5-dihydroimidazol-2-amine
SMILESCCCN1C(N)=NCC1CCSC
InChIInChI=1S/C9H19N3S/c1-3-5-12-8(4-6-13-2)7-11-9(12)10/h8H,3-7H2,1-2H3,(H2,10,11)
InChIKeyMZQCNGQFNZUWRG-UHFFFAOYSA-N
MW201.34 g/mol
LogP1.15
Rot. Bonds5

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

5-(2-methylsulfanylethyl)-1-propyl-4,5-dihydroimidazol-2-amine (PubChem CID 79510524) has the molecular formula C9H19N3S and a molecular weight of 201.34 g/mol. Its IUPAC name is 5-(2-methylsulfanylethyl)-1-propyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-(2-methylsulfanylethyl)-1-propyl-4,5-dihydroimidazol-2-amine
PubChem CID79510524
Molecular FormulaC9H19N3S
Molecular Weight201.34 g/mol
Exact Mass201.13
IUPAC Name5-(2-methylsulfanylethyl)-1-propyl-4,5-dihydroimidazol-2-amine
SMILESCCCN1C(N)=NCC1CCSC
InChIInChI=1S/C9H19N3S/c1-3-5-12-8(4-6-13-2)7-11-9(12)10/h8H,3-7H2,1-2H3,(H2,10,11)
InChIKeyMZQCNGQFNZUWRG-UHFFFAOYSA-N
XLogP1.15
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.34
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylsulfanylethyl)-1-propyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-(2-methylsulfanylethyl)-1-propyl-4,5-dihydroimidazol-2-amine (CID 79510524) is 5-(2-methylsulfanylethyl)-1-propyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-(2-methylsulfanylethyl)-1-propyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-(2-methylsulfanylethyl)-1-propyl-4,5-dihydroimidazol-2-amine is CCCN1C(N)=NCC1CCSC.
What is the InChIKey of 5-(2-methylsulfanylethyl)-1-propyl-4,5-dihydroimidazol-2-amine?
The InChIKey is MZQCNGQFNZUWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3S/c1-3-5-12-8(4-6-13-2)7-11-9(12)10/h8H,3-7H2,1-2H3,(H2,10,11).
What are the key properties of 5-(2-methylsulfanylethyl)-1-propyl-4,5-dihydroimidazol-2-amine?
5-(2-methylsulfanylethyl)-1-propyl-4,5-dihydroimidazol-2-amine has a molecular weight of 201.34 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylsulfanylethyl)-1-propyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79510524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).