2-[2-[2-(6-ethyl-1H-benzimidazol-2-yl)ethylamino]ethoxy]ethanol

C15H23N3O2 — CID 82337062

IUPAC2-[2-[2-(6-ethyl-1H-benzimidazol-2-yl)ethylamino]ethoxy]ethanol
SMILESCCc1ccc2nc(CCNCCOCCO)[nH]c2c1
InChIInChI=1S/C15H23N3O2/c1-2-12-3-4-13-14(11-12)18-15(17-13)5-6-16-7-9-20-10-8-19/h3-4,11,16,19H,2,5-10H2,1H3,(H,17,18)
InChIKeyWARBCYPEIYCUEV-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.27
Rot. Bonds9

About 2-[2-[2-(6-ethyl-1H-benzimidazol-2-yl)ethylamino]ethoxy]ethanol

2-[2-[2-(6-ethyl-1H-benzimidazol-2-yl)ethylamino]ethoxy]ethanol (PubChem CID 82337062) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[2-[2-(6-ethyl-1H-benzimidazol-2-yl)ethylamino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-(6-ethyl-1H-benzimidazol-2-yl)ethylamino]ethoxy]ethanol
PubChem CID82337062
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-[2-[2-(6-ethyl-1H-benzimidazol-2-yl)ethylamino]ethoxy]ethanol
SMILESCCc1ccc2nc(CCNCCOCCO)[nH]c2c1
InChIInChI=1S/C15H23N3O2/c1-2-12-3-4-13-14(11-12)18-15(17-13)5-6-16-7-9-20-10-8-19/h3-4,11,16,19H,2,5-10H2,1H3,(H,17,18)
InChIKeyWARBCYPEIYCUEV-UHFFFAOYSA-N
XLogP1.27
TPSA70.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.27
H-Bond Donors ≤ 53
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-ethyl-1H-benzimidazol-2-yl)ethyl]-3-methylbutan-1-amine
CID 82337145
3-(6-ethyl-1H-benzimidazol-2-yl)propanoic acid
CID 79017254
N-[2-(6-ethyl-1H-benzimidazol-2-yl)ethyl]cycloheptanamine
CID 82336949
2-(chloromethyl)-6-ethyl-1H-benzimidazole
CID 14096341
4-(6-ethyl-1H-benzimidazol-2-yl)butanoic acid
CID 80502897
2-[ethyl-[(6-ethyl-1H-benzimidazol-2-yl)methyl]amino]ethanol
CID 82335958
2-[2-(5,6-dimethoxy-1H-benzimidazol-2-yl)ethylamino]ethanol
CID 82336811
N-ethyl-3-(2-ethyl-3H-benzimidazol-5-yl)propan-1-amine
CID 98783912
N-ethyl-2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine
CID 25218862
N-[2-(6-propan-2-yl-1H-benzimidazol-2-yl)ethyl]propan-1-amine
CID 82331830
N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]hexan-1-amine
CID 82336889
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-3-methoxypropan-1-amine
CID 82336781

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(6-ethyl-1H-benzimidazol-2-yl)ethylamino]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-(6-ethyl-1H-benzimidazol-2-yl)ethylamino]ethoxy]ethanol (CID 82337062) is 2-[2-[2-(6-ethyl-1H-benzimidazol-2-yl)ethylamino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-(6-ethyl-1H-benzimidazol-2-yl)ethylamino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-(6-ethyl-1H-benzimidazol-2-yl)ethylamino]ethoxy]ethanol is CCc1ccc2nc(CCNCCOCCO)[nH]c2c1.
What is the InChIKey of 2-[2-[2-(6-ethyl-1H-benzimidazol-2-yl)ethylamino]ethoxy]ethanol?
The InChIKey is WARBCYPEIYCUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-2-12-3-4-13-14(11-12)18-15(17-13)5-6-16-7-9-20-10-8-19/h3-4,11,16,19H,2,5-10H2,1H3,(H,17,18).
What are the key properties of 2-[2-[2-(6-ethyl-1H-benzimidazol-2-yl)ethylamino]ethoxy]ethanol?
2-[2-[2-(6-ethyl-1H-benzimidazol-2-yl)ethylamino]ethoxy]ethanol has a molecular weight of 277.37 g/mol, XLogP of 1.27, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(6-ethyl-1H-benzimidazol-2-yl)ethylamino]ethoxy]ethanol is sourced from PubChem (CID 82337062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).