2-[2-[(2-phenyl-3H-benzimidazol-5-yl)oxy]ethoxy]ethanamine

C17H19N3O2 — CID 84816368

IUPAC2-[2-[(2-phenyl-3H-benzimidazol-5-yl)oxy]ethoxy]ethanamine
SMILESNCCOCCOc1ccc2nc(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C17H19N3O2/c18-8-9-21-10-11-22-14-6-7-15-16(12-14)20-17(19-15)13-4-2-1-3-5-13/h1-7,12H,8-11,18H2,(H,19,20)
InChIKeyDMXSCYDITIWCFW-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.58
Rot. Bonds7

About 2-[2-[(2-phenyl-3H-benzimidazol-5-yl)oxy]ethoxy]ethanamine

2-[2-[(2-phenyl-3H-benzimidazol-5-yl)oxy]ethoxy]ethanamine (PubChem CID 84816368) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-[2-[(2-phenyl-3H-benzimidazol-5-yl)oxy]ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-[(2-phenyl-3H-benzimidazol-5-yl)oxy]ethoxy]ethanamine
PubChem CID84816368
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name2-[2-[(2-phenyl-3H-benzimidazol-5-yl)oxy]ethoxy]ethanamine
SMILESNCCOCCOc1ccc2nc(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C17H19N3O2/c18-8-9-21-10-11-22-14-6-7-15-16(12-14)20-17(19-15)13-4-2-1-3-5-13/h1-7,12H,8-11,18H2,(H,19,20)
InChIKeyDMXSCYDITIWCFW-UHFFFAOYSA-N
XLogP2.58
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.58
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-[(2-phenyl-3H-benzimidazol-5-yl)oxy]ethanol
CID 84816371
6-chloro-2-[4-[2-[4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]ethoxy]phenyl]-1H-benzimidazole
CID 25255675
4-(6-propoxy-1H-benzimidazol-2-yl)aniline
CID 82331892
3-[[2-[4-(1H-benzimidazol-2-yl)phenyl]-3H-benzimidazol-5-yl]oxy]-N,N-dimethylpropan-1-amine
CID 138650020
2-(3-butoxyphenyl)-6-methoxy-1H-benzimidazole
CID 110538781
(2-phenyl-3H-benzimidazol-5-yl) acetate
CID 57208111
4-[[2-[4-[6-(4-amino-4-iminobutoxy)-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]oxy]butanimidamide
CID 138648896
2-[4-[10-[4-(1H-benzimidazol-2-yl)phenoxy]decoxy]phenyl]-1H-benzimidazole
CID 56656183
2-[4-[6-[4-(1H-benzimidazol-2-yl)phenoxy]hexoxy]phenyl]-1H-benzimidazole
CID 25255576
2-[4-[3-[4-(1H-benzimidazol-2-yl)phenoxy]propoxy]phenyl]-1H-benzimidazole
CID 24900492
2-phenyl-1H-benzo[f]benzimidazole
CID 13074514
2-[4-[2-(4-phenylmethoxyphenoxy)ethoxy]phenyl]-1H-benzimidazole
CID 168555593

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-phenyl-3H-benzimidazol-5-yl)oxy]ethoxy]ethanamine?
The IUPAC name of 2-[2-[(2-phenyl-3H-benzimidazol-5-yl)oxy]ethoxy]ethanamine (CID 84816368) is 2-[2-[(2-phenyl-3H-benzimidazol-5-yl)oxy]ethoxy]ethanamine.
What is the SMILES notation for 2-[2-[(2-phenyl-3H-benzimidazol-5-yl)oxy]ethoxy]ethanamine?
The canonical SMILES for 2-[2-[(2-phenyl-3H-benzimidazol-5-yl)oxy]ethoxy]ethanamine is NCCOCCOc1ccc2nc(-c3ccccc3)[nH]c2c1.
What is the InChIKey of 2-[2-[(2-phenyl-3H-benzimidazol-5-yl)oxy]ethoxy]ethanamine?
The InChIKey is DMXSCYDITIWCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c18-8-9-21-10-11-22-14-6-7-15-16(12-14)20-17(19-15)13-4-2-1-3-5-13/h1-7,12H,8-11,18H2,(H,19,20).
What are the key properties of 2-[2-[(2-phenyl-3H-benzimidazol-5-yl)oxy]ethoxy]ethanamine?
2-[2-[(2-phenyl-3H-benzimidazol-5-yl)oxy]ethoxy]ethanamine has a molecular weight of 297.36 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-phenyl-3H-benzimidazol-5-yl)oxy]ethoxy]ethanamine is sourced from PubChem (CID 84816368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).