5-(4-ethoxyphenyl)-2,3-dipropylimidazol-4-amine

C17H25N3O — CID 62219228

IUPAC5-(4-ethoxyphenyl)-2,3-dipropylimidazol-4-amine
SMILESCCCc1nc(-c2ccc(OCC)cc2)c(N)n1CCC
InChIInChI=1S/C17H25N3O/c1-4-7-15-19-16(17(18)20(15)12-5-2)13-8-10-14(11-9-13)21-6-3/h8-11H,4-7,12,18H2,1-3H3
InChIKeyIBXXIKOCYHKILG-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.89
Rot. Bonds7

About 5-(4-ethoxyphenyl)-2,3-dipropylimidazol-4-amine

5-(4-ethoxyphenyl)-2,3-dipropylimidazol-4-amine (PubChem CID 62219228) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 5-(4-ethoxyphenyl)-2,3-dipropylimidazol-4-amine.

Molecular Properties

Compound Name5-(4-ethoxyphenyl)-2,3-dipropylimidazol-4-amine
PubChem CID62219228
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name5-(4-ethoxyphenyl)-2,3-dipropylimidazol-4-amine
SMILESCCCc1nc(-c2ccc(OCC)cc2)c(N)n1CCC
InChIInChI=1S/C17H25N3O/c1-4-7-15-19-16(17(18)20(15)12-5-2)13-8-10-14(11-9-13)21-6-3/h8-11H,4-7,12,18H2,1-3H3
InChIKeyIBXXIKOCYHKILG-UHFFFAOYSA-N
XLogP3.89
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-ethoxyphenyl)-2,3-dipropylimidazol-4-amine?
The IUPAC name of 5-(4-ethoxyphenyl)-2,3-dipropylimidazol-4-amine (CID 62219228) is 5-(4-ethoxyphenyl)-2,3-dipropylimidazol-4-amine.
What is the SMILES notation for 5-(4-ethoxyphenyl)-2,3-dipropylimidazol-4-amine?
The canonical SMILES for 5-(4-ethoxyphenyl)-2,3-dipropylimidazol-4-amine is CCCc1nc(-c2ccc(OCC)cc2)c(N)n1CCC.
What is the InChIKey of 5-(4-ethoxyphenyl)-2,3-dipropylimidazol-4-amine?
The InChIKey is IBXXIKOCYHKILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-4-7-15-19-16(17(18)20(15)12-5-2)13-8-10-14(11-9-13)21-6-3/h8-11H,4-7,12,18H2,1-3H3.
What are the key properties of 5-(4-ethoxyphenyl)-2,3-dipropylimidazol-4-amine?
5-(4-ethoxyphenyl)-2,3-dipropylimidazol-4-amine has a molecular weight of 287.41 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethoxyphenyl)-2,3-dipropylimidazol-4-amine is sourced from PubChem (CID 62219228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).