2-[5-(2-imidazol-1-ylethoxy)-2-pyridinyl]ethanamine

C12H16N4O — CID 79799328

IUPAC2-[5-(2-imidazol-1-ylethoxy)-2-pyridinyl]ethanamine
SMILESNCCc1ccc(OCCn2ccnc2)cn1
InChIInChI=1S/C12H16N4O/c13-4-3-11-1-2-12(9-15-11)17-8-7-16-6-5-14-10-16/h1-2,5-6,9-10H,3-4,7-8,13H2
InChIKeyCGLNOZCIQSOMEV-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.86
Rot. Bonds6

About 2-[5-(2-imidazol-1-ylethoxy)-2-pyridinyl]ethanamine

2-[5-(2-imidazol-1-ylethoxy)-2-pyridinyl]ethanamine (PubChem CID 79799328) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-[5-(2-imidazol-1-ylethoxy)-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name2-[5-(2-imidazol-1-ylethoxy)-2-pyridinyl]ethanamine
PubChem CID79799328
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name2-[5-(2-imidazol-1-ylethoxy)-2-pyridinyl]ethanamine
SMILESNCCc1ccc(OCCn2ccnc2)cn1
InChIInChI=1S/C12H16N4O/c13-4-3-11-1-2-12(9-15-11)17-8-7-16-6-5-14-10-16/h1-2,5-6,9-10H,3-4,7-8,13H2
InChIKeyCGLNOZCIQSOMEV-UHFFFAOYSA-N
XLogP0.86
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-imidazol-1-ylethoxy)phenyl]ethanamine
CID 43253780
[5-(3-imidazol-1-ylpropoxy)-2-pyridinyl]methanol
CID 79794172
1-[2-(4-methoxyphenoxy)ethyl]imidazole
CID 868397
2-[2-(2-imidazol-1-ylethoxy)-5-methoxyphenyl]ethanamine
CID 54931279
2-(5-butoxy-2-pyridinyl)ethanamine
CID 79799974
ethane;1-[2-(4-ethylphenoxy)ethyl]imidazole;propane
CID 164877712
2-[5-(2-phenoxyethoxy)-2-pyridinyl]ethanamine
CID 79799508
1-[2-(4-ethylphenoxy)ethyl]imidazole
CID 867238
1-[4-(4-chlorophenoxy)butyl]imidazole
CID 2843495
1-[4-(2-imidazol-1-ylethoxy)phenyl]-N-methylmethanamine
CID 60880613
3-(2-imidazol-1-ylethoxy)propan-1-amine
CID 106938071
2-[5-[(2-methyltetrazol-5-yl)methoxy]-2-pyridinyl]ethanamine
CID 107051908

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-imidazol-1-ylethoxy)-2-pyridinyl]ethanamine?
The IUPAC name of 2-[5-(2-imidazol-1-ylethoxy)-2-pyridinyl]ethanamine (CID 79799328) is 2-[5-(2-imidazol-1-ylethoxy)-2-pyridinyl]ethanamine.
What is the SMILES notation for 2-[5-(2-imidazol-1-ylethoxy)-2-pyridinyl]ethanamine?
The canonical SMILES for 2-[5-(2-imidazol-1-ylethoxy)-2-pyridinyl]ethanamine is NCCc1ccc(OCCn2ccnc2)cn1.
What is the InChIKey of 2-[5-(2-imidazol-1-ylethoxy)-2-pyridinyl]ethanamine?
The InChIKey is CGLNOZCIQSOMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c13-4-3-11-1-2-12(9-15-11)17-8-7-16-6-5-14-10-16/h1-2,5-6,9-10H,3-4,7-8,13H2.
What are the key properties of 2-[5-(2-imidazol-1-ylethoxy)-2-pyridinyl]ethanamine?
2-[5-(2-imidazol-1-ylethoxy)-2-pyridinyl]ethanamine has a molecular weight of 232.29 g/mol, XLogP of 0.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-imidazol-1-ylethoxy)-2-pyridinyl]ethanamine is sourced from PubChem (CID 79799328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).