2-[6-(2-methoxyethoxy)-1H-benzimidazol-2-yl]ethanamine;dihydrochloride

C12H19Cl2N3O2 — CID 170650587

IUPAC2-[6-(2-methoxyethoxy)-1H-benzimidazol-2-yl]ethanamine;dihydrochloride
SMILESCOCCOc1ccc2nc(CCN)[nH]c2c1.Cl.Cl
InChIInChI=1S/C12H17N3O2.2ClH/c1-16-6-7-17-9-2-3-10-11(8-9)15-12(14-10)4-5-13;;/h2-3,8H,4-7,13H2,1H3,(H,14,15);2*1H
InChIKeyAFHTYAPBSKAVCO-UHFFFAOYSA-N
MW308.21 g/mol
LogP1.93
Rot. Bonds6

About 2-[6-(2-methoxyethoxy)-1H-benzimidazol-2-yl]ethanamine;dihydrochloride

2-[6-(2-methoxyethoxy)-1H-benzimidazol-2-yl]ethanamine;dihydrochloride (PubChem CID 170650587) has the molecular formula C12H19Cl2N3O2 and a molecular weight of 308.21 g/mol. Its IUPAC name is 2-[6-(2-methoxyethoxy)-1H-benzimidazol-2-yl]ethanamine;dihydrochloride.

Molecular Properties

Compound Name2-[6-(2-methoxyethoxy)-1H-benzimidazol-2-yl]ethanamine;dihydrochloride
PubChem CID170650587
Molecular FormulaC12H19Cl2N3O2
Molecular Weight308.21 g/mol
Exact Mass307.09
IUPAC Name2-[6-(2-methoxyethoxy)-1H-benzimidazol-2-yl]ethanamine;dihydrochloride
SMILESCOCCOc1ccc2nc(CCN)[nH]c2c1.Cl.Cl
InChIInChI=1S/C12H17N3O2.2ClH/c1-16-6-7-17-9-2-3-10-11(8-9)15-12(14-10)4-5-13;;/h2-3,8H,4-7,13H2,1H3,(H,14,15);2*1H
InChIKeyAFHTYAPBSKAVCO-UHFFFAOYSA-N
XLogP1.93
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.21
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(6-methyl-1H-benzimidazol-2-yl)ethanamine;dihydrochloride
CID 19195701
2-(6-chloro-1H-benzimidazol-2-yl)ethanamine;hydrochloride
CID 46736450
[2-(2-methoxyethyl)-3H-benzimidazol-5-yl]methanamine
CID 79004507
3-(6-propan-2-yloxy-1H-benzimidazol-2-yl)propan-1-amine
CID 82331922
2-(2-aminoethyl)-N,N-dimethyl-3H-benzimidazol-5-amine
CID 82282888
5-[(2-propyl-3H-benzimidazol-5-yl)oxy]pentanoic acid
CID 84816306
2-(6-methoxy-1H-benzimidazol-2-yl)-N-methylethanamine;hydrochloride
CID 72942363
2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine
CID 16767401
6-ethoxy-2-heptadecyl-1H-benzimidazole
CID 71336716
4-[(6-methoxy-1H-benzimidazol-2-yl)methoxy]aniline
CID 65017728
3-[(2-propan-2-yl-3H-benzimidazol-5-yl)oxy]propan-1-amine
CID 82496166
4-(6-methoxy-1H-benzimidazol-2-yl)butan-2-amine
CID 65018041

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-methoxyethoxy)-1H-benzimidazol-2-yl]ethanamine;dihydrochloride?
The IUPAC name of 2-[6-(2-methoxyethoxy)-1H-benzimidazol-2-yl]ethanamine;dihydrochloride (CID 170650587) is 2-[6-(2-methoxyethoxy)-1H-benzimidazol-2-yl]ethanamine;dihydrochloride.
What is the SMILES notation for 2-[6-(2-methoxyethoxy)-1H-benzimidazol-2-yl]ethanamine;dihydrochloride?
The canonical SMILES for 2-[6-(2-methoxyethoxy)-1H-benzimidazol-2-yl]ethanamine;dihydrochloride is COCCOc1ccc2nc(CCN)[nH]c2c1.Cl.Cl.
What is the InChIKey of 2-[6-(2-methoxyethoxy)-1H-benzimidazol-2-yl]ethanamine;dihydrochloride?
The InChIKey is AFHTYAPBSKAVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2.2ClH/c1-16-6-7-17-9-2-3-10-11(8-9)15-12(14-10)4-5-13;;/h2-3,8H,4-7,13H2,1H3,(H,14,15);2*1H.
What are the key properties of 2-[6-(2-methoxyethoxy)-1H-benzimidazol-2-yl]ethanamine;dihydrochloride?
2-[6-(2-methoxyethoxy)-1H-benzimidazol-2-yl]ethanamine;dihydrochloride has a molecular weight of 308.21 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-methoxyethoxy)-1H-benzimidazol-2-yl]ethanamine;dihydrochloride is sourced from PubChem (CID 170650587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).