5-(3-ethoxyphenyl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine

C15H23N3O — CID 79498860

IUPAC5-(3-ethoxyphenyl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine
SMILESCCOc1cccc(C2CN=C(N)N2CC(C)C)c1
InChIInChI=1S/C15H23N3O/c1-4-19-13-7-5-6-12(8-13)14-9-17-15(16)18(14)10-11(2)3/h5-8,11,14H,4,9-10H2,1-3H3,(H2,16,17)
InChIKeyZHRILQDRWNQYEM-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.41
Rot. Bonds5

About 5-(3-ethoxyphenyl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine

5-(3-ethoxyphenyl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine (PubChem CID 79498860) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 5-(3-ethoxyphenyl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-(3-ethoxyphenyl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine
PubChem CID79498860
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name5-(3-ethoxyphenyl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine
SMILESCCOc1cccc(C2CN=C(N)N2CC(C)C)c1
InChIInChI=1S/C15H23N3O/c1-4-19-13-7-5-6-12(8-13)14-9-17-15(16)18(14)10-11(2)3/h5-8,11,14H,4,9-10H2,1-3H3,(H2,16,17)
InChIKeyZHRILQDRWNQYEM-UHFFFAOYSA-N
XLogP2.41
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-ethoxyphenyl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-(3-ethoxyphenyl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine (CID 79498860) is 5-(3-ethoxyphenyl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-(3-ethoxyphenyl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-(3-ethoxyphenyl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine is CCOc1cccc(C2CN=C(N)N2CC(C)C)c1.
What is the InChIKey of 5-(3-ethoxyphenyl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is ZHRILQDRWNQYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-4-19-13-7-5-6-12(8-13)14-9-17-15(16)18(14)10-11(2)3/h5-8,11,14H,4,9-10H2,1-3H3,(H2,16,17).
What are the key properties of 5-(3-ethoxyphenyl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine?
5-(3-ethoxyphenyl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 261.37 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethoxyphenyl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79498860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).