2-(5-ethoxy-1-hexylbenzimidazol-2-yl)ethanamine

C17H27N3O — CID 82334679

IUPAC2-(5-ethoxy-1-hexylbenzimidazol-2-yl)ethanamine
SMILESCCCCCCn1c(CCN)nc2cc(OCC)ccc21
InChIInChI=1S/C17H27N3O/c1-3-5-6-7-12-20-16-9-8-14(21-4-2)13-15(16)19-17(20)10-11-18/h8-9,13H,3-7,10-12,18H2,1-2H3
InChIKeyFMBDFCKKPSBZII-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.52
Rot. Bonds9

About 2-(5-ethoxy-1-hexylbenzimidazol-2-yl)ethanamine

2-(5-ethoxy-1-hexylbenzimidazol-2-yl)ethanamine (PubChem CID 82334679) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-(5-ethoxy-1-hexylbenzimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(5-ethoxy-1-hexylbenzimidazol-2-yl)ethanamine
PubChem CID82334679
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-(5-ethoxy-1-hexylbenzimidazol-2-yl)ethanamine
SMILESCCCCCCn1c(CCN)nc2cc(OCC)ccc21
InChIInChI=1S/C17H27N3O/c1-3-5-6-7-12-20-16-9-8-14(21-4-2)13-15(16)19-17(20)10-11-18/h8-9,13H,3-7,10-12,18H2,1-2H3
InChIKeyFMBDFCKKPSBZII-UHFFFAOYSA-N
XLogP3.52
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(5-ethoxy-1-propylbenzimidazol-2-yl)propan-1-amine
CID 82334661
2-[2-(2-aminoethyl)-5-propoxybenzimidazol-1-yl]ethanol
CID 82335008
3-(5-chloro-1-hexylbenzimidazol-2-yl)propan-1-amine
CID 82332507
2-(chloromethyl)-5-ethoxy-1-propylbenzimidazole
CID 82334898
(5-ethoxy-1-ethylbenzimidazol-2-yl)methanamine
CID 82334703
(1-butyl-5-methoxybenzimidazol-2-yl)methanamine
CID 82334322
4-[5-ethoxy-2-(3-hydroxypropyl)benzimidazol-1-yl]butan-2-one
CID 82334847
2-[2-(aminomethyl)-5-ethoxybenzimidazol-1-yl]-N,N-dimethylethanamine
CID 82334711
2-[5-chloro-1-(3-ethoxypropyl)benzimidazol-2-yl]ethanamine
CID 46308773
[5-ethoxy-1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methanamine
CID 82334694
3-[5-ethoxy-1-(3-methylbutyl)benzimidazol-2-yl]propan-1-ol
CID 82334841
(5-ethyl-1-heptylbenzimidazol-2-yl)methanamine
CID 82333503

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethoxy-1-hexylbenzimidazol-2-yl)ethanamine?
The IUPAC name of 2-(5-ethoxy-1-hexylbenzimidazol-2-yl)ethanamine (CID 82334679) is 2-(5-ethoxy-1-hexylbenzimidazol-2-yl)ethanamine.
What is the SMILES notation for 2-(5-ethoxy-1-hexylbenzimidazol-2-yl)ethanamine?
The canonical SMILES for 2-(5-ethoxy-1-hexylbenzimidazol-2-yl)ethanamine is CCCCCCn1c(CCN)nc2cc(OCC)ccc21.
What is the InChIKey of 2-(5-ethoxy-1-hexylbenzimidazol-2-yl)ethanamine?
The InChIKey is FMBDFCKKPSBZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-5-6-7-12-20-16-9-8-14(21-4-2)13-15(16)19-17(20)10-11-18/h8-9,13H,3-7,10-12,18H2,1-2H3.
What are the key properties of 2-(5-ethoxy-1-hexylbenzimidazol-2-yl)ethanamine?
2-(5-ethoxy-1-hexylbenzimidazol-2-yl)ethanamine has a molecular weight of 289.42 g/mol, XLogP of 3.52, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethoxy-1-hexylbenzimidazol-2-yl)ethanamine is sourced from PubChem (CID 82334679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).