2-[[2-(aminomethyl)-1H-benzimidazol-4-yl]oxy]-N,N-dimethylethanamine;trihydrochloride

C12H21Cl3N4O — CID 170911905

IUPAC2-[[2-(aminomethyl)-1H-benzimidazol-4-yl]oxy]-N,N-dimethylethanamine;trihydrochloride
SMILESCN(C)CCOc1cccc2[nH]c(CN)nc12.Cl.Cl.Cl
InChIInChI=1S/C12H18N4O.3ClH/c1-16(2)6-7-17-10-5-3-4-9-12(10)15-11(8-13)14-9;;;/h3-5H,6-8,13H2,1-2H3,(H,14,15);3*1H
InChIKeyJZJCFINDPPSQIN-UHFFFAOYSA-N
MW343.69 g/mol
LogP2.23
Rot. Bonds5

About 2-[[2-(aminomethyl)-1H-benzimidazol-4-yl]oxy]-N,N-dimethylethanamine;trihydrochloride

2-[[2-(aminomethyl)-1H-benzimidazol-4-yl]oxy]-N,N-dimethylethanamine;trihydrochloride (PubChem CID 170911905) has the molecular formula C12H21Cl3N4O and a molecular weight of 343.69 g/mol. Its IUPAC name is 2-[[2-(aminomethyl)-1H-benzimidazol-4-yl]oxy]-N,N-dimethylethanamine;trihydrochloride.

Molecular Properties

Compound Name2-[[2-(aminomethyl)-1H-benzimidazol-4-yl]oxy]-N,N-dimethylethanamine;trihydrochloride
PubChem CID170911905
Molecular FormulaC12H21Cl3N4O
Molecular Weight343.69 g/mol
Exact Mass342.08
IUPAC Name2-[[2-(aminomethyl)-1H-benzimidazol-4-yl]oxy]-N,N-dimethylethanamine;trihydrochloride
SMILESCN(C)CCOc1cccc2[nH]c(CN)nc12.Cl.Cl.Cl
InChIInChI=1S/C12H18N4O.3ClH/c1-16(2)6-7-17-10-5-3-4-9-12(10)15-11(8-13)14-9;;;/h3-5H,6-8,13H2,1-2H3,(H,14,15);3*1H
InChIKeyJZJCFINDPPSQIN-UHFFFAOYSA-N
XLogP2.23
TPSA67.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.69
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(aminomethyl)-1H-benzimidazol-4-yl]oxy]-N,N-dimethylethanamine;trihydrochloride 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-[[2-(aminomethyl)-1H-benzimidazol-4-yl]oxy]-N,N-dimethylethanamine;trihydrochloride?
The IUPAC name of 2-[[2-(aminomethyl)-1H-benzimidazol-4-yl]oxy]-N,N-dimethylethanamine;trihydrochloride (CID 170911905) is 2-[[2-(aminomethyl)-1H-benzimidazol-4-yl]oxy]-N,N-dimethylethanamine;trihydrochloride.
What is the SMILES notation for 2-[[2-(aminomethyl)-1H-benzimidazol-4-yl]oxy]-N,N-dimethylethanamine;trihydrochloride?
The canonical SMILES for 2-[[2-(aminomethyl)-1H-benzimidazol-4-yl]oxy]-N,N-dimethylethanamine;trihydrochloride is CN(C)CCOc1cccc2[nH]c(CN)nc12.Cl.Cl.Cl.
What is the InChIKey of 2-[[2-(aminomethyl)-1H-benzimidazol-4-yl]oxy]-N,N-dimethylethanamine;trihydrochloride?
The InChIKey is JZJCFINDPPSQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O.3ClH/c1-16(2)6-7-17-10-5-3-4-9-12(10)15-11(8-13)14-9;;;/h3-5H,6-8,13H2,1-2H3,(H,14,15);3*1H.
What are the key properties of 2-[[2-(aminomethyl)-1H-benzimidazol-4-yl]oxy]-N,N-dimethylethanamine;trihydrochloride?
2-[[2-(aminomethyl)-1H-benzimidazol-4-yl]oxy]-N,N-dimethylethanamine;trihydrochloride has a molecular weight of 343.69 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(aminomethyl)-1H-benzimidazol-4-yl]oxy]-N,N-dimethylethanamine;trihydrochloride is sourced from PubChem (CID 170911905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).