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

C14H17N3O — CID 64506808

IUPAC5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-methylimidazol-4-amine
SMILESCn1cnc(-c2cccc3c2OC(C)(C)C3)c1N
InChIInChI=1S/C14H17N3O/c1-14(2)7-9-5-4-6-10(12(9)18-14)11-13(15)17(3)8-16-11/h4-6,8H,7,15H2,1-3H3
InChIKeyBSTBCEKNMQIJKI-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.38
Rot. Bonds1

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

5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-methylimidazol-4-amine (PubChem CID 64506808) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-methylimidazol-4-amine.

Molecular Properties

Compound Name5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-methylimidazol-4-amine
PubChem CID64506808
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-methylimidazol-4-amine
SMILESCn1cnc(-c2cccc3c2OC(C)(C)C3)c1N
InChIInChI=1S/C14H17N3O/c1-14(2)7-9-5-4-6-10(12(9)18-14)11-13(15)17(3)8-16-11/h4-6,8H,7,15H2,1-3H3
InChIKeyBSTBCEKNMQIJKI-UHFFFAOYSA-N
XLogP2.38
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-methylimidazol-4-amine?
The IUPAC name of 5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-methylimidazol-4-amine (CID 64506808) is 5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-methylimidazol-4-amine.
What is the SMILES notation for 5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-methylimidazol-4-amine?
The canonical SMILES for 5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-methylimidazol-4-amine is Cn1cnc(-c2cccc3c2OC(C)(C)C3)c1N.
What is the InChIKey of 5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-methylimidazol-4-amine?
The InChIKey is BSTBCEKNMQIJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-14(2)7-9-5-4-6-10(12(9)18-14)11-13(15)17(3)8-16-11/h4-6,8H,7,15H2,1-3H3.
What are the key properties of 5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-methylimidazol-4-amine?
5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-methylimidazol-4-amine has a molecular weight of 243.31 g/mol, XLogP of 2.38, 1 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)-3-methylimidazol-4-amine is sourced from PubChem (CID 64506808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).