5-(2-ethoxyphenyl)-5-methyl-1-(2-methylpropyl)-4H-imidazol-2-amine

C16H25N3O — CID 79497892

IUPAC5-(2-ethoxyphenyl)-5-methyl-1-(2-methylpropyl)-4H-imidazol-2-amine
SMILESCCOc1ccccc1C1(C)CN=C(N)N1CC(C)C
InChIInChI=1S/C16H25N3O/c1-5-20-14-9-7-6-8-13(14)16(4)11-18-15(17)19(16)10-12(2)3/h6-9,12H,5,10-11H2,1-4H3,(H2,17,18)
InChIKeyVHQHSEPQACJSIT-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.59
Rot. Bonds5

About 5-(2-ethoxyphenyl)-5-methyl-1-(2-methylpropyl)-4H-imidazol-2-amine

5-(2-ethoxyphenyl)-5-methyl-1-(2-methylpropyl)-4H-imidazol-2-amine (PubChem CID 79497892) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 5-(2-ethoxyphenyl)-5-methyl-1-(2-methylpropyl)-4H-imidazol-2-amine.

Molecular Properties

Compound Name5-(2-ethoxyphenyl)-5-methyl-1-(2-methylpropyl)-4H-imidazol-2-amine
PubChem CID79497892
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name5-(2-ethoxyphenyl)-5-methyl-1-(2-methylpropyl)-4H-imidazol-2-amine
SMILESCCOc1ccccc1C1(C)CN=C(N)N1CC(C)C
InChIInChI=1S/C16H25N3O/c1-5-20-14-9-7-6-8-13(14)16(4)11-18-15(17)19(16)10-12(2)3/h6-9,12H,5,10-11H2,1-4H3,(H2,17,18)
InChIKeyVHQHSEPQACJSIT-UHFFFAOYSA-N
XLogP2.59
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxyphenyl)-5-methyl-1-(2-methylpropyl)-4H-imidazol-2-amine?
The IUPAC name of 5-(2-ethoxyphenyl)-5-methyl-1-(2-methylpropyl)-4H-imidazol-2-amine (CID 79497892) is 5-(2-ethoxyphenyl)-5-methyl-1-(2-methylpropyl)-4H-imidazol-2-amine.
What is the SMILES notation for 5-(2-ethoxyphenyl)-5-methyl-1-(2-methylpropyl)-4H-imidazol-2-amine?
The canonical SMILES for 5-(2-ethoxyphenyl)-5-methyl-1-(2-methylpropyl)-4H-imidazol-2-amine is CCOc1ccccc1C1(C)CN=C(N)N1CC(C)C.
What is the InChIKey of 5-(2-ethoxyphenyl)-5-methyl-1-(2-methylpropyl)-4H-imidazol-2-amine?
The InChIKey is VHQHSEPQACJSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-5-20-14-9-7-6-8-13(14)16(4)11-18-15(17)19(16)10-12(2)3/h6-9,12H,5,10-11H2,1-4H3,(H2,17,18).
What are the key properties of 5-(2-ethoxyphenyl)-5-methyl-1-(2-methylpropyl)-4H-imidazol-2-amine?
5-(2-ethoxyphenyl)-5-methyl-1-(2-methylpropyl)-4H-imidazol-2-amine has a molecular weight of 275.40 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxyphenyl)-5-methyl-1-(2-methylpropyl)-4H-imidazol-2-amine is sourced from PubChem (CID 79497892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).