5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethyl-2-propylimidazol-4-amine

C16H21N3O2 — CID 62219055

IUPAC5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethyl-2-propylimidazol-4-amine
SMILESCCCc1nc(-c2ccc3c(c2)OCCO3)c(N)n1CC
InChIInChI=1S/C16H21N3O2/c1-3-5-14-18-15(16(17)19(14)4-2)11-6-7-12-13(10-11)21-9-8-20-12/h6-7,10H,3-5,8-9,17H2,1-2H3
InChIKeyBPUINJADRFKBJF-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.88
Rot. Bonds4

About 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethyl-2-propylimidazol-4-amine

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethyl-2-propylimidazol-4-amine (PubChem CID 62219055) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethyl-2-propylimidazol-4-amine.

Molecular Properties

Compound Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethyl-2-propylimidazol-4-amine
PubChem CID62219055
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethyl-2-propylimidazol-4-amine
SMILESCCCc1nc(-c2ccc3c(c2)OCCO3)c(N)n1CC
InChIInChI=1S/C16H21N3O2/c1-3-5-14-18-15(16(17)19(14)4-2)11-6-7-12-13(10-11)21-9-8-20-12/h6-7,10H,3-5,8-9,17H2,1-2H3
InChIKeyBPUINJADRFKBJF-UHFFFAOYSA-N
XLogP2.88
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethyl-2-propylimidazol-4-amine?
The IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethyl-2-propylimidazol-4-amine (CID 62219055) is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethyl-2-propylimidazol-4-amine.
What is the SMILES notation for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethyl-2-propylimidazol-4-amine?
The canonical SMILES for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethyl-2-propylimidazol-4-amine is CCCc1nc(-c2ccc3c(c2)OCCO3)c(N)n1CC.
What is the InChIKey of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethyl-2-propylimidazol-4-amine?
The InChIKey is BPUINJADRFKBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-3-5-14-18-15(16(17)19(14)4-2)11-6-7-12-13(10-11)21-9-8-20-12/h6-7,10H,3-5,8-9,17H2,1-2H3.
What are the key properties of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethyl-2-propylimidazol-4-amine?
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethyl-2-propylimidazol-4-amine has a molecular weight of 287.36 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethyl-2-propylimidazol-4-amine is sourced from PubChem (CID 62219055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).