5-(2-ethoxyphenyl)-3-ethyl-2-propan-2-ylimidazol-4-amine

C16H23N3O — CID 62219790

IUPAC5-(2-ethoxyphenyl)-3-ethyl-2-propan-2-ylimidazol-4-amine
SMILESCCOc1ccccc1-c1nc(C(C)C)n(CC)c1N
InChIInChI=1S/C16H23N3O/c1-5-19-15(17)14(18-16(19)11(3)4)12-9-7-8-10-13(12)20-6-2/h7-11H,5-6,17H2,1-4H3
InChIKeyAGKCULQWXVGACB-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.67
Rot. Bonds5

About 5-(2-ethoxyphenyl)-3-ethyl-2-propan-2-ylimidazol-4-amine

5-(2-ethoxyphenyl)-3-ethyl-2-propan-2-ylimidazol-4-amine (PubChem CID 62219790) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 5-(2-ethoxyphenyl)-3-ethyl-2-propan-2-ylimidazol-4-amine.

Molecular Properties

Compound Name5-(2-ethoxyphenyl)-3-ethyl-2-propan-2-ylimidazol-4-amine
PubChem CID62219790
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name5-(2-ethoxyphenyl)-3-ethyl-2-propan-2-ylimidazol-4-amine
SMILESCCOc1ccccc1-c1nc(C(C)C)n(CC)c1N
InChIInChI=1S/C16H23N3O/c1-5-19-15(17)14(18-16(19)11(3)4)12-9-7-8-10-13(12)20-6-2/h7-11H,5-6,17H2,1-4H3
InChIKeyAGKCULQWXVGACB-UHFFFAOYSA-N
XLogP3.67
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxyphenyl)-3-ethyl-2-propan-2-ylimidazol-4-amine?
The IUPAC name of 5-(2-ethoxyphenyl)-3-ethyl-2-propan-2-ylimidazol-4-amine (CID 62219790) is 5-(2-ethoxyphenyl)-3-ethyl-2-propan-2-ylimidazol-4-amine.
What is the SMILES notation for 5-(2-ethoxyphenyl)-3-ethyl-2-propan-2-ylimidazol-4-amine?
The canonical SMILES for 5-(2-ethoxyphenyl)-3-ethyl-2-propan-2-ylimidazol-4-amine is CCOc1ccccc1-c1nc(C(C)C)n(CC)c1N.
What is the InChIKey of 5-(2-ethoxyphenyl)-3-ethyl-2-propan-2-ylimidazol-4-amine?
The InChIKey is AGKCULQWXVGACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-5-19-15(17)14(18-16(19)11(3)4)12-9-7-8-10-13(12)20-6-2/h7-11H,5-6,17H2,1-4H3.
What are the key properties of 5-(2-ethoxyphenyl)-3-ethyl-2-propan-2-ylimidazol-4-amine?
5-(2-ethoxyphenyl)-3-ethyl-2-propan-2-ylimidazol-4-amine has a molecular weight of 273.38 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxyphenyl)-3-ethyl-2-propan-2-ylimidazol-4-amine is sourced from PubChem (CID 62219790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).