5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-ethyl-4,5-dihydroimidazol-2-amine

C15H21N3O — CID 79510725

IUPAC5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-ethyl-4,5-dihydroimidazol-2-amine
SMILESCCN1C(N)=NCC1c1cccc2c1OC(C)(C)C2
InChIInChI=1S/C15H21N3O/c1-4-18-12(9-17-14(18)16)11-7-5-6-10-8-15(2,3)19-13(10)11/h5-7,12H,4,8-9H2,1-3H3,(H2,16,17)
InChIKeyPXAOVGMVFACXPK-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.09
Rot. Bonds2

About 5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-ethyl-4,5-dihydroimidazol-2-amine

5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-ethyl-4,5-dihydroimidazol-2-amine (PubChem CID 79510725) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-ethyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-ethyl-4,5-dihydroimidazol-2-amine
PubChem CID79510725
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-ethyl-4,5-dihydroimidazol-2-amine
SMILESCCN1C(N)=NCC1c1cccc2c1OC(C)(C)C2
InChIInChI=1S/C15H21N3O/c1-4-18-12(9-17-14(18)16)11-7-5-6-10-8-15(2,3)19-13(10)11/h5-7,12H,4,8-9H2,1-3H3,(H2,16,17)
InChIKeyPXAOVGMVFACXPK-UHFFFAOYSA-N
XLogP2.09
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-methylpyrrolidin-3-yl]methanamine
CID 117405541
5-amino-4-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-propyl-4H-imidazol-2-one
CID 79960240
1-ethyl-5-quinolin-8-yl-4,5-dihydroimidazol-2-amine
CID 79509942
2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-ethylpiperidin-3-amine
CID 64508815
2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-ethylazepan-3-amine
CID 64507040
4-amino-5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5H-1,3-oxazol-2-one
CID 114239576
5-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4,5-dihydroimidazol-2-amine
CID 79596346
[1-(aminomethyl)-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)cyclopropyl]methanol
CID 64510953
3-(2-amino-3-ethyl-4,5-dihydroimidazol-4-yl)phenol
CID 79510385
6-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5-ethyl-4,5-dihydropyridazin-3-amine
CID 64690327
(2,2-dimethyl-3H-1-benzofuran-7-yl)methanamine
CID 18525713
2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-6-ethylmorpholine
CID 65126843

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-ethyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-ethyl-4,5-dihydroimidazol-2-amine (CID 79510725) is 5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-ethyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-ethyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-ethyl-4,5-dihydroimidazol-2-amine is CCN1C(N)=NCC1c1cccc2c1OC(C)(C)C2.
What is the InChIKey of 5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-ethyl-4,5-dihydroimidazol-2-amine?
The InChIKey is PXAOVGMVFACXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-18-12(9-17-14(18)16)11-7-5-6-10-8-15(2,3)19-13(10)11/h5-7,12H,4,8-9H2,1-3H3,(H2,16,17).
What are the key properties of 5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-ethyl-4,5-dihydroimidazol-2-amine?
5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-ethyl-4,5-dihydroimidazol-2-amine has a molecular weight of 259.35 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-ethyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79510725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).