2-(6-ethoxy-1H-benzimidazol-2-yl)-N-(pyridin-2-ylmethyl)ethanamine

C17H20N4O — CID 82337013

IUPAC2-(6-ethoxy-1H-benzimidazol-2-yl)-N-(pyridin-2-ylmethyl)ethanamine
SMILESCCOc1ccc2nc(CCNCc3ccccn3)[nH]c2c1
InChIInChI=1S/C17H20N4O/c1-2-22-14-6-7-15-16(11-14)21-17(20-15)8-10-18-12-13-5-3-4-9-19-13/h3-7,9,11,18H,2,8,10,12H2,1H3,(H,20,21)
InChIKeyUFTOBJIBMWPGEE-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.69
Rot. Bonds7

About 2-(6-ethoxy-1H-benzimidazol-2-yl)-N-(pyridin-2-ylmethyl)ethanamine

2-(6-ethoxy-1H-benzimidazol-2-yl)-N-(pyridin-2-ylmethyl)ethanamine (PubChem CID 82337013) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-(6-ethoxy-1H-benzimidazol-2-yl)-N-(pyridin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(6-ethoxy-1H-benzimidazol-2-yl)-N-(pyridin-2-ylmethyl)ethanamine
PubChem CID82337013
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name2-(6-ethoxy-1H-benzimidazol-2-yl)-N-(pyridin-2-ylmethyl)ethanamine
SMILESCCOc1ccc2nc(CCNCc3ccccn3)[nH]c2c1
InChIInChI=1S/C17H20N4O/c1-2-22-14-6-7-15-16(11-14)21-17(20-15)8-10-18-12-13-5-3-4-9-19-13/h3-7,9,11,18H,2,8,10,12H2,1H3,(H,20,21)
InChIKeyUFTOBJIBMWPGEE-UHFFFAOYSA-N
XLogP2.69
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.69
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

N-[2-(6-ethoxy-1H-benzimidazol-2-yl)ethyl]-2-methylpropan-2-amine
CID 82336836
6-ethoxy-2-heptadecyl-1H-benzimidazole
CID 71336716
2-(6-methoxy-1H-benzimidazol-2-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 82337004
N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]hexan-1-amine
CID 82336889
2-(1H-benzimidazol-2-yl)-N-[(2-chloro-4,5-diethoxyphenyl)methyl]ethanamine
CID 66538100
2-(6-ethoxy-1H-benzimidazol-2-yl)acetic acid
CID 82331853
6-ethoxy-2-[(2-propan-2-ylphenoxy)methyl]-1H-benzimidazole
CID 27408358
2-(6-methoxy-1H-benzimidazol-2-yl)-N-methylethanamine;hydrochloride
CID 72942363
2-methyl-N-[2-(6-propan-2-yloxy-1H-benzimidazol-2-yl)ethyl]propan-1-amine
CID 82331939
6-ethoxy-2-(pyrimidin-2-ylmethylsulfanyl)-1H-benzimidazole
CID 99794984
4-ethoxy-2-methyl-N-(pyridin-2-ylmethyl)aniline
CID 54865375
N'-[[4-[[(6-methyl-1H-benzimidazol-2-yl)methylamino]methyl]phenyl]methyl]-N-(pyridin-4-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 11577553

Frequently Asked Questions

What is the IUPAC name of 2-(6-ethoxy-1H-benzimidazol-2-yl)-N-(pyridin-2-ylmethyl)ethanamine?
The IUPAC name of 2-(6-ethoxy-1H-benzimidazol-2-yl)-N-(pyridin-2-ylmethyl)ethanamine (CID 82337013) is 2-(6-ethoxy-1H-benzimidazol-2-yl)-N-(pyridin-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(6-ethoxy-1H-benzimidazol-2-yl)-N-(pyridin-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(6-ethoxy-1H-benzimidazol-2-yl)-N-(pyridin-2-ylmethyl)ethanamine is CCOc1ccc2nc(CCNCc3ccccn3)[nH]c2c1.
What is the InChIKey of 2-(6-ethoxy-1H-benzimidazol-2-yl)-N-(pyridin-2-ylmethyl)ethanamine?
The InChIKey is UFTOBJIBMWPGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-2-22-14-6-7-15-16(11-14)21-17(20-15)8-10-18-12-13-5-3-4-9-19-13/h3-7,9,11,18H,2,8,10,12H2,1H3,(H,20,21).
What are the key properties of 2-(6-ethoxy-1H-benzimidazol-2-yl)-N-(pyridin-2-ylmethyl)ethanamine?
2-(6-ethoxy-1H-benzimidazol-2-yl)-N-(pyridin-2-ylmethyl)ethanamine has a molecular weight of 296.37 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethoxy-1H-benzimidazol-2-yl)-N-(pyridin-2-ylmethyl)ethanamine is sourced from PubChem (CID 82337013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).