1-[1-(4-ethoxyphenyl)imidazol-4-yl]-N-methylmethanamine

C13H17N3O — CID 114203964

IUPAC1-[1-(4-ethoxyphenyl)imidazol-4-yl]-N-methylmethanamine
SMILESCCOc1ccc(-n2cnc(CNC)c2)cc1
InChIInChI=1S/C13H17N3O/c1-3-17-13-6-4-12(5-7-13)16-9-11(8-14-2)15-10-16/h4-7,9-10,14H,3,8H2,1-2H3
InChIKeyGMQZUUSBWVDWTC-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.99
Rot. Bonds5

About 1-[1-(4-ethoxyphenyl)imidazol-4-yl]-N-methylmethanamine

1-[1-(4-ethoxyphenyl)imidazol-4-yl]-N-methylmethanamine (PubChem CID 114203964) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-[1-(4-ethoxyphenyl)imidazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(4-ethoxyphenyl)imidazol-4-yl]-N-methylmethanamine
PubChem CID114203964
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name1-[1-(4-ethoxyphenyl)imidazol-4-yl]-N-methylmethanamine
SMILESCCOc1ccc(-n2cnc(CNC)c2)cc1
InChIInChI=1S/C13H17N3O/c1-3-17-13-6-4-12(5-7-13)16-9-11(8-14-2)15-10-16/h4-7,9-10,14H,3,8H2,1-2H3
InChIKeyGMQZUUSBWVDWTC-UHFFFAOYSA-N
XLogP1.99
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-ethoxyphenyl)imidazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(4-ethoxyphenyl)imidazol-4-yl]-N-methylmethanamine (CID 114203964) is 1-[1-(4-ethoxyphenyl)imidazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(4-ethoxyphenyl)imidazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(4-ethoxyphenyl)imidazol-4-yl]-N-methylmethanamine is CCOc1ccc(-n2cnc(CNC)c2)cc1.
What is the InChIKey of 1-[1-(4-ethoxyphenyl)imidazol-4-yl]-N-methylmethanamine?
The InChIKey is GMQZUUSBWVDWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-3-17-13-6-4-12(5-7-13)16-9-11(8-14-2)15-10-16/h4-7,9-10,14H,3,8H2,1-2H3.
What are the key properties of 1-[1-(4-ethoxyphenyl)imidazol-4-yl]-N-methylmethanamine?
1-[1-(4-ethoxyphenyl)imidazol-4-yl]-N-methylmethanamine has a molecular weight of 231.30 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-ethoxyphenyl)imidazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 114203964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).