1-[2-(1H-imidazol-2-ylsulfanyl)phenyl]-N-methylpropan-1-amine

C13H17N3S — CID 107780626

IUPAC1-[2-(1H-imidazol-2-ylsulfanyl)phenyl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccccc1Sc1ncc[nH]1
InChIInChI=1S/C13H17N3S/c1-3-11(14-2)10-6-4-5-7-12(10)17-13-15-8-9-16-13/h4-9,11,14H,3H2,1-2H3,(H,15,16)
InChIKeyVBONHEAJKDIXGU-UHFFFAOYSA-N
MW247.37 g/mol
LogP3.23
Rot. Bonds5

About 1-[2-(1H-imidazol-2-ylsulfanyl)phenyl]-N-methylpropan-1-amine

1-[2-(1H-imidazol-2-ylsulfanyl)phenyl]-N-methylpropan-1-amine (PubChem CID 107780626) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 1-[2-(1H-imidazol-2-ylsulfanyl)phenyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-[2-(1H-imidazol-2-ylsulfanyl)phenyl]-N-methylpropan-1-amine
PubChem CID107780626
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name1-[2-(1H-imidazol-2-ylsulfanyl)phenyl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccccc1Sc1ncc[nH]1
InChIInChI=1S/C13H17N3S/c1-3-11(14-2)10-6-4-5-7-12(10)17-13-15-8-9-16-13/h4-9,11,14H,3H2,1-2H3,(H,15,16)
InChIKeyVBONHEAJKDIXGU-UHFFFAOYSA-N
XLogP3.23
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-(1H-imidazol-2-ylsulfanyl)phenyl]-N-methylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-1-[2-(1H-imidazol-2-ylsulfanyl)phenyl]propan-1-amine
CID 107780572
1-[2-(1H-imidazol-2-ylsulfanyl)phenyl]-N-methylethanamine
CID 107780639
1-[2-(1H-imidazol-2-ylsulfanyl)phenyl]butan-2-amine
CID 114001168
1-[2-(2-chlorophenyl)sulfanylphenyl]-N-methylpropan-1-amine
CID 112678556
N-methyl-1-[2-(1-methylimidazol-2-yl)sulfanylphenyl]propan-1-amine
CID 112678538
2-(2-methylphenyl)sulfanyl-1H-imidazole
CID 67575257
N-[[2-(1H-imidazol-2-ylsulfanyl)phenyl]methyl]ethanamine
CID 107783150
N-methyl-1-[2-(7H-purin-6-ylsulfanyl)phenyl]propan-1-amine
CID 115995838
2-[2-[1-(propylamino)propyl]phenyl]sulfanyl-1H-pyrimidin-6-one
CID 115995801
1-[2-(2,5-dimethylphenyl)sulfanylphenyl]-N-methylpropan-1-amine
CID 115995797
N-methyl-1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]propan-1-amine
CID 112678616
2-(1H-imidazol-2-ylsulfanyl)-N-methyl-1-(4-methylphenyl)ethanamine
CID 107783873

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-imidazol-2-ylsulfanyl)phenyl]-N-methylpropan-1-amine?
The IUPAC name of 1-[2-(1H-imidazol-2-ylsulfanyl)phenyl]-N-methylpropan-1-amine (CID 107780626) is 1-[2-(1H-imidazol-2-ylsulfanyl)phenyl]-N-methylpropan-1-amine.
What is the SMILES notation for 1-[2-(1H-imidazol-2-ylsulfanyl)phenyl]-N-methylpropan-1-amine?
The canonical SMILES for 1-[2-(1H-imidazol-2-ylsulfanyl)phenyl]-N-methylpropan-1-amine is CCC(NC)c1ccccc1Sc1ncc[nH]1.
What is the InChIKey of 1-[2-(1H-imidazol-2-ylsulfanyl)phenyl]-N-methylpropan-1-amine?
The InChIKey is VBONHEAJKDIXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-3-11(14-2)10-6-4-5-7-12(10)17-13-15-8-9-16-13/h4-9,11,14H,3H2,1-2H3,(H,15,16).
What are the key properties of 1-[2-(1H-imidazol-2-ylsulfanyl)phenyl]-N-methylpropan-1-amine?
1-[2-(1H-imidazol-2-ylsulfanyl)phenyl]-N-methylpropan-1-amine has a molecular weight of 247.37 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-imidazol-2-ylsulfanyl)phenyl]-N-methylpropan-1-amine is sourced from PubChem (CID 107780626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).