2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N,N-diethylethanamine

C9H19N3S — CID 28298

IUPAC2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N,N-diethylethanamine
SMILESCCN(CC)CCSC1=NCCN1
InChIInChI=1S/C9H19N3S/c1-3-12(4-2)7-8-13-9-10-5-6-11-9/h3-8H2,1-2H3,(H,10,11)
InChIKeyUDAYLABGJCKNED-UHFFFAOYSA-N
MW201.34 g/mol
LogP1.02
Rot. Bonds5

About 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N,N-diethylethanamine

2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N,N-diethylethanamine (PubChem CID 28298) has the molecular formula C9H19N3S and a molecular weight of 201.34 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N,N-diethylethanamine.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N,N-diethylethanamine
PubChem CID28298
Molecular FormulaC9H19N3S
Molecular Weight201.34 g/mol
Exact Mass201.13
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N,N-diethylethanamine
SMILESCCN(CC)CCSC1=NCCN1
InChIInChI=1S/C9H19N3S/c1-3-12(4-2)7-8-13-9-10-5-6-11-9/h3-8H2,1-2H3,(H,10,11)
InChIKeyUDAYLABGJCKNED-UHFFFAOYSA-N
XLogP1.02
TPSA27.63 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 ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N,N-diethylethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N,N-diethylethanamine?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N,N-diethylethanamine (CID 28298) is 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N,N-diethylethanamine.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N,N-diethylethanamine?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N,N-diethylethanamine is CCN(CC)CCSC1=NCCN1.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N,N-diethylethanamine?
The InChIKey is UDAYLABGJCKNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3S/c1-3-12(4-2)7-8-13-9-10-5-6-11-9/h3-8H2,1-2H3,(H,10,11).
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N,N-diethylethanamine?
2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N,N-diethylethanamine has a molecular weight of 201.34 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N,N-diethylethanamine is sourced from PubChem (CID 28298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).