5-amino-4-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-propyl-4H-imidazol-2-one

C16H21N3O2 — CID 79960240

IUPAC5-amino-4-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-propyl-4H-imidazol-2-one
SMILESCCCN1C(=O)N=C(N)C1c1cccc2c1OC(C)(C)C2
InChIInChI=1S/C16H21N3O2/c1-4-8-19-12(14(17)18-15(19)20)11-7-5-6-10-9-16(2,3)21-13(10)11/h5-7,12H,4,8-9H2,1-3H3,(H2,17,18,20)
InChIKeyMBGCPTYKHZYCFY-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.64
Rot. Bonds3

About 5-amino-4-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-propyl-4H-imidazol-2-one

5-amino-4-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-propyl-4H-imidazol-2-one (PubChem CID 79960240) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 5-amino-4-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-propyl-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-4-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-propyl-4H-imidazol-2-one
PubChem CID79960240
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name5-amino-4-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-propyl-4H-imidazol-2-one
SMILESCCCN1C(=O)N=C(N)C1c1cccc2c1OC(C)(C)C2
InChIInChI=1S/C16H21N3O2/c1-4-8-19-12(14(17)18-15(19)20)11-7-5-6-10-9-16(2,3)21-13(10)11/h5-7,12H,4,8-9H2,1-3H3,(H2,17,18,20)
InChIKeyMBGCPTYKHZYCFY-UHFFFAOYSA-N
XLogP2.64
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-propyl-4H-imidazol-2-one?
The IUPAC name of 5-amino-4-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-propyl-4H-imidazol-2-one (CID 79960240) is 5-amino-4-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-propyl-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-4-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-propyl-4H-imidazol-2-one?
The canonical SMILES for 5-amino-4-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-propyl-4H-imidazol-2-one is CCCN1C(=O)N=C(N)C1c1cccc2c1OC(C)(C)C2.
What is the InChIKey of 5-amino-4-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-propyl-4H-imidazol-2-one?
The InChIKey is MBGCPTYKHZYCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-4-8-19-12(14(17)18-15(19)20)11-7-5-6-10-9-16(2,3)21-13(10)11/h5-7,12H,4,8-9H2,1-3H3,(H2,17,18,20).
What are the key properties of 5-amino-4-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-propyl-4H-imidazol-2-one?
5-amino-4-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-propyl-4H-imidazol-2-one has a molecular weight of 287.36 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-propyl-4H-imidazol-2-one is sourced from PubChem (CID 79960240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).