5-(4-ethoxyphenyl)-1-methylimidazol-2-amine

C12H15N3O — CID 1132947

IUPAC5-(4-ethoxyphenyl)-1-methylimidazol-2-amine
SMILESCCOc1ccc(-c2cnc(N)n2C)cc1
InChIInChI=1S/C12H15N3O/c1-3-16-10-6-4-9(5-7-10)11-8-14-12(13)15(11)2/h4-8H,3H2,1-2H3,(H2,13,14)
InChIKeyLBIXWRSZNOJKDR-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.07
Rot. Bonds3

About 5-(4-ethoxyphenyl)-1-methylimidazol-2-amine

5-(4-ethoxyphenyl)-1-methylimidazol-2-amine (PubChem CID 1132947) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 5-(4-ethoxyphenyl)-1-methylimidazol-2-amine.

Molecular Properties

Compound Name5-(4-ethoxyphenyl)-1-methylimidazol-2-amine
PubChem CID1132947
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name5-(4-ethoxyphenyl)-1-methylimidazol-2-amine
SMILESCCOc1ccc(-c2cnc(N)n2C)cc1
InChIInChI=1S/C12H15N3O/c1-3-16-10-6-4-9(5-7-10)11-8-14-12(13)15(11)2/h4-8H,3H2,1-2H3,(H2,13,14)
InChIKeyLBIXWRSZNOJKDR-UHFFFAOYSA-N
XLogP2.07
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-ethoxyphenyl)-1-methylimidazol-2-amine?
The IUPAC name of 5-(4-ethoxyphenyl)-1-methylimidazol-2-amine (CID 1132947) is 5-(4-ethoxyphenyl)-1-methylimidazol-2-amine.
What is the SMILES notation for 5-(4-ethoxyphenyl)-1-methylimidazol-2-amine?
The canonical SMILES for 5-(4-ethoxyphenyl)-1-methylimidazol-2-amine is CCOc1ccc(-c2cnc(N)n2C)cc1.
What is the InChIKey of 5-(4-ethoxyphenyl)-1-methylimidazol-2-amine?
The InChIKey is LBIXWRSZNOJKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-3-16-10-6-4-9(5-7-10)11-8-14-12(13)15(11)2/h4-8H,3H2,1-2H3,(H2,13,14).
What are the key properties of 5-(4-ethoxyphenyl)-1-methylimidazol-2-amine?
5-(4-ethoxyphenyl)-1-methylimidazol-2-amine has a molecular weight of 217.27 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethoxyphenyl)-1-methylimidazol-2-amine is sourced from PubChem (CID 1132947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).