2-methoxy-N-[[3-(1-pyridin-4-ylethyl)imidazol-4-yl]methyl]ethanamine

C14H20N4O — CID 66146731

IUPAC2-methoxy-N-[[3-(1-pyridin-4-ylethyl)imidazol-4-yl]methyl]ethanamine
SMILESCOCCNCc1cncn1C(C)c1ccncc1
InChIInChI=1S/C14H20N4O/c1-12(13-3-5-15-6-4-13)18-11-17-10-14(18)9-16-7-8-19-2/h3-6,10-12,16H,7-9H2,1-2H3
InChIKeyIUSWVHWAXYDXAO-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.62
Rot. Bonds7

About 2-methoxy-N-[[3-(1-pyridin-4-ylethyl)imidazol-4-yl]methyl]ethanamine

2-methoxy-N-[[3-(1-pyridin-4-ylethyl)imidazol-4-yl]methyl]ethanamine (PubChem CID 66146731) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-methoxy-N-[[3-(1-pyridin-4-ylethyl)imidazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[3-(1-pyridin-4-ylethyl)imidazol-4-yl]methyl]ethanamine
PubChem CID66146731
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name2-methoxy-N-[[3-(1-pyridin-4-ylethyl)imidazol-4-yl]methyl]ethanamine
SMILESCOCCNCc1cncn1C(C)c1ccncc1
InChIInChI=1S/C14H20N4O/c1-12(13-3-5-15-6-4-13)18-11-17-10-14(18)9-16-7-8-19-2/h3-6,10-12,16H,7-9H2,1-2H3
InChIKeyIUSWVHWAXYDXAO-UHFFFAOYSA-N
XLogP1.62
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[[3-(1-pyridin-4-ylethyl)imidazol-4-yl]methyl]propan-1-amine
CID 66146733
N-[(3-butan-2-ylimidazol-4-yl)methyl]-2-methoxyethanamine
CID 66148790
2-methoxy-N-[[3-(4-methylpentan-2-yl)imidazol-4-yl]methyl]ethanamine
CID 66148185
2-methoxy-N-[[3-(3-methylpentan-2-yl)imidazol-4-yl]methyl]ethanamine
CID 66148404
2-methoxy-N-[[3-(2-methylpentan-3-yl)imidazol-4-yl]methyl]ethanamine
CID 66146120
2-methoxy-N-[[3-(1-methylsulfonylpropan-2-yl)imidazol-4-yl]methyl]ethanamine
CID 66150173
N-[[3-(1-phenylethyl)imidazol-4-yl]methyl]ethanamine
CID 66148577
2-methoxy-N-[[3-(2-propan-2-yloxyethyl)imidazol-4-yl]methyl]ethanamine
CID 113450980
N-methyl-1-[3-(1-phenylethyl)imidazol-4-yl]methanamine
CID 19841742
N-[[3-[1-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]methyl]propan-1-amine
CID 114286408
N-[[3-[(4-fluorophenyl)methyl]imidazol-4-yl]methyl]-2-methoxyethanamine
CID 66146924
N-[(3-pentan-2-ylimidazol-4-yl)methyl]propan-1-amine
CID 66147531

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[3-(1-pyridin-4-ylethyl)imidazol-4-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[3-(1-pyridin-4-ylethyl)imidazol-4-yl]methyl]ethanamine (CID 66146731) is 2-methoxy-N-[[3-(1-pyridin-4-ylethyl)imidazol-4-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[3-(1-pyridin-4-ylethyl)imidazol-4-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[3-(1-pyridin-4-ylethyl)imidazol-4-yl]methyl]ethanamine is COCCNCc1cncn1C(C)c1ccncc1.
What is the InChIKey of 2-methoxy-N-[[3-(1-pyridin-4-ylethyl)imidazol-4-yl]methyl]ethanamine?
The InChIKey is IUSWVHWAXYDXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-12(13-3-5-15-6-4-13)18-11-17-10-14(18)9-16-7-8-19-2/h3-6,10-12,16H,7-9H2,1-2H3.
What are the key properties of 2-methoxy-N-[[3-(1-pyridin-4-ylethyl)imidazol-4-yl]methyl]ethanamine?
2-methoxy-N-[[3-(1-pyridin-4-ylethyl)imidazol-4-yl]methyl]ethanamine has a molecular weight of 260.34 g/mol, XLogP of 1.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[3-(1-pyridin-4-ylethyl)imidazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 66146731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).