N-(2-ethylsulfanylbenzimidazol-1-yl)propan-1-imine

C12H15N3S — CID 4196989

IUPACN-(2-ethylsulfanylbenzimidazol-1-yl)propan-1-imine
SMILESCCC=Nn1c(SCC)nc2ccccc21
InChIInChI=1S/C12H15N3S/c1-3-9-13-15-11-8-6-5-7-10(11)14-12(15)16-4-2/h5-9H,3-4H2,1-2H3
InChIKeyARYKUJSFYMDJOB-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.39
Rot. Bonds4

About N-(2-ethylsulfanylbenzimidazol-1-yl)propan-1-imine

N-(2-ethylsulfanylbenzimidazol-1-yl)propan-1-imine (PubChem CID 4196989) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is N-(2-ethylsulfanylbenzimidazol-1-yl)propan-1-imine.

Molecular Properties

Compound NameN-(2-ethylsulfanylbenzimidazol-1-yl)propan-1-imine
PubChem CID4196989
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC NameN-(2-ethylsulfanylbenzimidazol-1-yl)propan-1-imine
SMILESCCC=Nn1c(SCC)nc2ccccc21
InChIInChI=1S/C12H15N3S/c1-3-9-13-15-11-8-6-5-7-10(11)14-12(15)16-4-2/h5-9H,3-4H2,1-2H3
InChIKeyARYKUJSFYMDJOB-UHFFFAOYSA-N
XLogP3.39
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-(2-ethylsulfanylbenzimidazol-1-yl)propan-1-imine 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 N-(2-ethylsulfanylbenzimidazol-1-yl)propan-1-imine?
The IUPAC name of N-(2-ethylsulfanylbenzimidazol-1-yl)propan-1-imine (CID 4196989) is N-(2-ethylsulfanylbenzimidazol-1-yl)propan-1-imine.
What is the SMILES notation for N-(2-ethylsulfanylbenzimidazol-1-yl)propan-1-imine?
The canonical SMILES for N-(2-ethylsulfanylbenzimidazol-1-yl)propan-1-imine is CCC=Nn1c(SCC)nc2ccccc21.
What is the InChIKey of N-(2-ethylsulfanylbenzimidazol-1-yl)propan-1-imine?
The InChIKey is ARYKUJSFYMDJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-3-9-13-15-11-8-6-5-7-10(11)14-12(15)16-4-2/h5-9H,3-4H2,1-2H3.
What are the key properties of N-(2-ethylsulfanylbenzimidazol-1-yl)propan-1-imine?
N-(2-ethylsulfanylbenzimidazol-1-yl)propan-1-imine has a molecular weight of 233.34 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfanylbenzimidazol-1-yl)propan-1-imine is sourced from PubChem (CID 4196989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).