2-(3-ethyl-2-iminobenzimidazol-1-yl)ethanol;hydrochloride

C11H16ClN3O — CID 2857928

IUPAC2-(3-ethyl-2-iminobenzimidazol-1-yl)ethanol;hydrochloride
SMILESCl.[H]/N=c1\n(CC)c2ccccc2n1CCO
InChIInChI=1S/C11H15N3O.ClH/c1-2-13-9-5-3-4-6-10(9)14(7-8-15)11(13)12;/h3-6,12,15H,2,7-8H2,1H3;1H/b12-11+;
InChIKeyMTBFSLMPXGWFSB-CALJPSDSSA-N
MW241.72 g/mol
LogP1.36
Rot. Bonds3

About 2-(3-ethyl-2-iminobenzimidazol-1-yl)ethanol;hydrochloride

2-(3-ethyl-2-iminobenzimidazol-1-yl)ethanol;hydrochloride (PubChem CID 2857928) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 2-(3-ethyl-2-iminobenzimidazol-1-yl)ethanol;hydrochloride.

Molecular Properties

Compound Name2-(3-ethyl-2-iminobenzimidazol-1-yl)ethanol;hydrochloride
PubChem CID2857928
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name2-(3-ethyl-2-iminobenzimidazol-1-yl)ethanol;hydrochloride
SMILESCl.[H]/N=c1\n(CC)c2ccccc2n1CCO
InChIInChI=1S/C11H15N3O.ClH/c1-2-13-9-5-3-4-6-10(9)14(7-8-15)11(13)12;/h3-6,12,15H,2,7-8H2,1H3;1H/b12-11+;
InChIKeyMTBFSLMPXGWFSB-CALJPSDSSA-N
XLogP1.36
TPSA53.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3-ethyl-2-iminobenzimidazol-1-yl)ethanol;hydrochloride 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-(3-ethyl-2-iminobenzimidazol-1-yl)ethanol;hydrochloride?
The IUPAC name of 2-(3-ethyl-2-iminobenzimidazol-1-yl)ethanol;hydrochloride (CID 2857928) is 2-(3-ethyl-2-iminobenzimidazol-1-yl)ethanol;hydrochloride.
What is the SMILES notation for 2-(3-ethyl-2-iminobenzimidazol-1-yl)ethanol;hydrochloride?
The canonical SMILES for 2-(3-ethyl-2-iminobenzimidazol-1-yl)ethanol;hydrochloride is Cl.[H]/N=c1\n(CC)c2ccccc2n1CCO.
What is the InChIKey of 2-(3-ethyl-2-iminobenzimidazol-1-yl)ethanol;hydrochloride?
The InChIKey is MTBFSLMPXGWFSB-CALJPSDSSA-N. The full InChI is InChI=1S/C11H15N3O.ClH/c1-2-13-9-5-3-4-6-10(9)14(7-8-15)11(13)12;/h3-6,12,15H,2,7-8H2,1H3;1H/b12-11+;.
What are the key properties of 2-(3-ethyl-2-iminobenzimidazol-1-yl)ethanol;hydrochloride?
2-(3-ethyl-2-iminobenzimidazol-1-yl)ethanol;hydrochloride has a molecular weight of 241.72 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2-iminobenzimidazol-1-yl)ethanol;hydrochloride is sourced from PubChem (CID 2857928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).