2-methoxy-N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-[(3-methylthiophen-2-yl)methyl]ethanamine

C16H25N3O2S — CID 46986746

IUPAC2-methoxy-N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-[(3-methylthiophen-2-yl)methyl]ethanamine
SMILESCOCCN(Cc1sccc1C)Cc1nccn1CCOC
InChIInChI=1S/C16H25N3O2S/c1-14-4-11-22-15(14)12-18(7-9-20-2)13-16-17-5-6-19(16)8-10-21-3/h4-6,11H,7-10,12-13H2,1-3H3
InChIKeyAKVDWZFHZWKDKC-UHFFFAOYSA-N
MW323.46 g/mol
LogP2.55
Rot. Bonds10

About 2-methoxy-N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-[(3-methylthiophen-2-yl)methyl]ethanamine

2-methoxy-N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-[(3-methylthiophen-2-yl)methyl]ethanamine (PubChem CID 46986746) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is 2-methoxy-N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-[(3-methylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-[(3-methylthiophen-2-yl)methyl]ethanamine
PubChem CID46986746
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC Name2-methoxy-N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-[(3-methylthiophen-2-yl)methyl]ethanamine
SMILESCOCCN(Cc1sccc1C)Cc1nccn1CCOC
InChIInChI=1S/C16H25N3O2S/c1-14-4-11-22-15(14)12-18(7-9-20-2)13-16-17-5-6-19(16)8-10-21-3/h4-6,11H,7-10,12-13H2,1-3H3
InChIKeyAKVDWZFHZWKDKC-UHFFFAOYSA-N
XLogP2.55
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-[(3-methylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-[(3-methylthiophen-2-yl)methyl]ethanamine (CID 46986746) is 2-methoxy-N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-[(3-methylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-[(3-methylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-[(3-methylthiophen-2-yl)methyl]ethanamine is COCCN(Cc1sccc1C)Cc1nccn1CCOC.
What is the InChIKey of 2-methoxy-N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-[(3-methylthiophen-2-yl)methyl]ethanamine?
The InChIKey is AKVDWZFHZWKDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-14-4-11-22-15(14)12-18(7-9-20-2)13-16-17-5-6-19(16)8-10-21-3/h4-6,11H,7-10,12-13H2,1-3H3.
What are the key properties of 2-methoxy-N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-[(3-methylthiophen-2-yl)methyl]ethanamine?
2-methoxy-N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-[(3-methylthiophen-2-yl)methyl]ethanamine has a molecular weight of 323.46 g/mol, XLogP of 2.55, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-[(3-methylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 46986746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).