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

C16H19Cl2N3O — CID 155971127

IUPAC2-[6-(2-methoxyphenyl)-1H-benzimidazol-2-yl]ethanamine;dihydrochloride
SMILESCOc1ccccc1-c1ccc2nc(CCN)[nH]c2c1.Cl.Cl
InChIInChI=1S/C16H17N3O.2ClH/c1-20-15-5-3-2-4-12(15)11-6-7-13-14(10-11)19-16(18-13)8-9-17;;/h2-7,10H,8-9,17H2,1H3,(H,18,19);2*1H
InChIKeyMYCGSFOJDGKGLV-UHFFFAOYSA-N
MW340.25 g/mol
LogP3.58
Rot. Bonds4

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

2-[6-(2-methoxyphenyl)-1H-benzimidazol-2-yl]ethanamine;dihydrochloride (PubChem CID 155971127) has the molecular formula C16H19Cl2N3O and a molecular weight of 340.25 g/mol. Its IUPAC name is 2-[6-(2-methoxyphenyl)-1H-benzimidazol-2-yl]ethanamine;dihydrochloride.

Molecular Properties

Compound Name2-[6-(2-methoxyphenyl)-1H-benzimidazol-2-yl]ethanamine;dihydrochloride
PubChem CID155971127
Molecular FormulaC16H19Cl2N3O
Molecular Weight340.25 g/mol
Exact Mass339.09
IUPAC Name2-[6-(2-methoxyphenyl)-1H-benzimidazol-2-yl]ethanamine;dihydrochloride
SMILESCOc1ccccc1-c1ccc2nc(CCN)[nH]c2c1.Cl.Cl
InChIInChI=1S/C16H17N3O.2ClH/c1-20-15-5-3-2-4-12(15)11-6-7-13-14(10-11)19-16(18-13)8-9-17;;/h2-7,10H,8-9,17H2,1H3,(H,18,19);2*1H
InChIKeyMYCGSFOJDGKGLV-UHFFFAOYSA-N
XLogP3.58
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.25
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-methoxyphenyl)-1H-benzimidazol-2-yl]ethanamine;dihydrochloride?
The IUPAC name of 2-[6-(2-methoxyphenyl)-1H-benzimidazol-2-yl]ethanamine;dihydrochloride (CID 155971127) is 2-[6-(2-methoxyphenyl)-1H-benzimidazol-2-yl]ethanamine;dihydrochloride.
What is the SMILES notation for 2-[6-(2-methoxyphenyl)-1H-benzimidazol-2-yl]ethanamine;dihydrochloride?
The canonical SMILES for 2-[6-(2-methoxyphenyl)-1H-benzimidazol-2-yl]ethanamine;dihydrochloride is COc1ccccc1-c1ccc2nc(CCN)[nH]c2c1.Cl.Cl.
What is the InChIKey of 2-[6-(2-methoxyphenyl)-1H-benzimidazol-2-yl]ethanamine;dihydrochloride?
The InChIKey is MYCGSFOJDGKGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O.2ClH/c1-20-15-5-3-2-4-12(15)11-6-7-13-14(10-11)19-16(18-13)8-9-17;;/h2-7,10H,8-9,17H2,1H3,(H,18,19);2*1H.
What are the key properties of 2-[6-(2-methoxyphenyl)-1H-benzimidazol-2-yl]ethanamine;dihydrochloride?
2-[6-(2-methoxyphenyl)-1H-benzimidazol-2-yl]ethanamine;dihydrochloride has a molecular weight of 340.25 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-methoxyphenyl)-1H-benzimidazol-2-yl]ethanamine;dihydrochloride is sourced from PubChem (CID 155971127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).