3-cyclopropyl-2-ethyl-5-(4-propoxyphenyl)imidazol-4-amine

C17H23N3O — CID 62495279

IUPAC3-cyclopropyl-2-ethyl-5-(4-propoxyphenyl)imidazol-4-amine
SMILESCCCOc1ccc(-c2nc(CC)n(C3CC3)c2N)cc1
InChIInChI=1S/C17H23N3O/c1-3-11-21-14-9-5-12(6-10-14)16-17(18)20(13-7-8-13)15(4-2)19-16/h5-6,9-10,13H,3-4,7-8,11,18H2,1-2H3
InChIKeyGWFYLQGCNAYUNP-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.82
Rot. Bonds6

About 3-cyclopropyl-2-ethyl-5-(4-propoxyphenyl)imidazol-4-amine

3-cyclopropyl-2-ethyl-5-(4-propoxyphenyl)imidazol-4-amine (PubChem CID 62495279) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-cyclopropyl-2-ethyl-5-(4-propoxyphenyl)imidazol-4-amine.

Molecular Properties

Compound Name3-cyclopropyl-2-ethyl-5-(4-propoxyphenyl)imidazol-4-amine
PubChem CID62495279
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name3-cyclopropyl-2-ethyl-5-(4-propoxyphenyl)imidazol-4-amine
SMILESCCCOc1ccc(-c2nc(CC)n(C3CC3)c2N)cc1
InChIInChI=1S/C17H23N3O/c1-3-11-21-14-9-5-12(6-10-14)16-17(18)20(13-7-8-13)15(4-2)19-16/h5-6,9-10,13H,3-4,7-8,11,18H2,1-2H3
InChIKeyGWFYLQGCNAYUNP-UHFFFAOYSA-N
XLogP3.82
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-ethyl-5-(4-propoxyphenyl)imidazol-4-amine?
The IUPAC name of 3-cyclopropyl-2-ethyl-5-(4-propoxyphenyl)imidazol-4-amine (CID 62495279) is 3-cyclopropyl-2-ethyl-5-(4-propoxyphenyl)imidazol-4-amine.
What is the SMILES notation for 3-cyclopropyl-2-ethyl-5-(4-propoxyphenyl)imidazol-4-amine?
The canonical SMILES for 3-cyclopropyl-2-ethyl-5-(4-propoxyphenyl)imidazol-4-amine is CCCOc1ccc(-c2nc(CC)n(C3CC3)c2N)cc1.
What is the InChIKey of 3-cyclopropyl-2-ethyl-5-(4-propoxyphenyl)imidazol-4-amine?
The InChIKey is GWFYLQGCNAYUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-3-11-21-14-9-5-12(6-10-14)16-17(18)20(13-7-8-13)15(4-2)19-16/h5-6,9-10,13H,3-4,7-8,11,18H2,1-2H3.
What are the key properties of 3-cyclopropyl-2-ethyl-5-(4-propoxyphenyl)imidazol-4-amine?
3-cyclopropyl-2-ethyl-5-(4-propoxyphenyl)imidazol-4-amine has a molecular weight of 285.39 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-ethyl-5-(4-propoxyphenyl)imidazol-4-amine is sourced from PubChem (CID 62495279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).