1-(2-aminoethyl)-3-methyl-4-(4-methylsulfanylphenyl)imidazolidin-2-one

C13H19N3OS — CID 116981203

IUPAC1-(2-aminoethyl)-3-methyl-4-(4-methylsulfanylphenyl)imidazolidin-2-one
SMILESCSc1ccc(C2CN(CCN)C(=O)N2C)cc1
InChIInChI=1S/C13H19N3OS/c1-15-12(9-16(8-7-14)13(15)17)10-3-5-11(18-2)6-4-10/h3-6,12H,7-9,14H2,1-2H3
InChIKeyMMIJFFXLCQPNJS-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.78
Rot. Bonds4

About 1-(2-aminoethyl)-3-methyl-4-(4-methylsulfanylphenyl)imidazolidin-2-one

1-(2-aminoethyl)-3-methyl-4-(4-methylsulfanylphenyl)imidazolidin-2-one (PubChem CID 116981203) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 1-(2-aminoethyl)-3-methyl-4-(4-methylsulfanylphenyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(2-aminoethyl)-3-methyl-4-(4-methylsulfanylphenyl)imidazolidin-2-one
PubChem CID116981203
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name1-(2-aminoethyl)-3-methyl-4-(4-methylsulfanylphenyl)imidazolidin-2-one
SMILESCSc1ccc(C2CN(CCN)C(=O)N2C)cc1
InChIInChI=1S/C13H19N3OS/c1-15-12(9-16(8-7-14)13(15)17)10-3-5-11(18-2)6-4-10/h3-6,12H,7-9,14H2,1-2H3
InChIKeyMMIJFFXLCQPNJS-UHFFFAOYSA-N
XLogP1.78
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-3-methyl-4-(4-methylsulfanylphenyl)imidazolidin-2-one?
The IUPAC name of 1-(2-aminoethyl)-3-methyl-4-(4-methylsulfanylphenyl)imidazolidin-2-one (CID 116981203) is 1-(2-aminoethyl)-3-methyl-4-(4-methylsulfanylphenyl)imidazolidin-2-one.
What is the SMILES notation for 1-(2-aminoethyl)-3-methyl-4-(4-methylsulfanylphenyl)imidazolidin-2-one?
The canonical SMILES for 1-(2-aminoethyl)-3-methyl-4-(4-methylsulfanylphenyl)imidazolidin-2-one is CSc1ccc(C2CN(CCN)C(=O)N2C)cc1.
What is the InChIKey of 1-(2-aminoethyl)-3-methyl-4-(4-methylsulfanylphenyl)imidazolidin-2-one?
The InChIKey is MMIJFFXLCQPNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-15-12(9-16(8-7-14)13(15)17)10-3-5-11(18-2)6-4-10/h3-6,12H,7-9,14H2,1-2H3.
What are the key properties of 1-(2-aminoethyl)-3-methyl-4-(4-methylsulfanylphenyl)imidazolidin-2-one?
1-(2-aminoethyl)-3-methyl-4-(4-methylsulfanylphenyl)imidazolidin-2-one has a molecular weight of 265.38 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-3-methyl-4-(4-methylsulfanylphenyl)imidazolidin-2-one is sourced from PubChem (CID 116981203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).