4-(2,2-dimethyl-3H-1-benzofuran-7-yl)imidazole-1,5-diamine

C13H16N4O — CID 64507030

IUPAC4-(2,2-dimethyl-3H-1-benzofuran-7-yl)imidazole-1,5-diamine
SMILESCC1(C)Cc2cccc(-c3ncn(N)c3N)c2O1
InChIInChI=1S/C13H16N4O/c1-13(2)6-8-4-3-5-9(11(8)18-13)10-12(14)17(15)7-16-10/h3-5,7H,6,14-15H2,1-2H3
InChIKeyOAAKQWAUIUISGS-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.56
Rot. Bonds1

About 4-(2,2-dimethyl-3H-1-benzofuran-7-yl)imidazole-1,5-diamine

4-(2,2-dimethyl-3H-1-benzofuran-7-yl)imidazole-1,5-diamine (PubChem CID 64507030) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 4-(2,2-dimethyl-3H-1-benzofuran-7-yl)imidazole-1,5-diamine.

Molecular Properties

Compound Name4-(2,2-dimethyl-3H-1-benzofuran-7-yl)imidazole-1,5-diamine
PubChem CID64507030
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name4-(2,2-dimethyl-3H-1-benzofuran-7-yl)imidazole-1,5-diamine
SMILESCC1(C)Cc2cccc(-c3ncn(N)c3N)c2O1
InChIInChI=1S/C13H16N4O/c1-13(2)6-8-4-3-5-9(11(8)18-13)10-12(14)17(15)7-16-10/h3-5,7H,6,14-15H2,1-2H3
InChIKeyOAAKQWAUIUISGS-UHFFFAOYSA-N
XLogP1.56
TPSA79.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethyl-3H-1-benzofuran-7-yl)imidazole-1,5-diamine?
The IUPAC name of 4-(2,2-dimethyl-3H-1-benzofuran-7-yl)imidazole-1,5-diamine (CID 64507030) is 4-(2,2-dimethyl-3H-1-benzofuran-7-yl)imidazole-1,5-diamine.
What is the SMILES notation for 4-(2,2-dimethyl-3H-1-benzofuran-7-yl)imidazole-1,5-diamine?
The canonical SMILES for 4-(2,2-dimethyl-3H-1-benzofuran-7-yl)imidazole-1,5-diamine is CC1(C)Cc2cccc(-c3ncn(N)c3N)c2O1.
What is the InChIKey of 4-(2,2-dimethyl-3H-1-benzofuran-7-yl)imidazole-1,5-diamine?
The InChIKey is OAAKQWAUIUISGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-13(2)6-8-4-3-5-9(11(8)18-13)10-12(14)17(15)7-16-10/h3-5,7H,6,14-15H2,1-2H3.
What are the key properties of 4-(2,2-dimethyl-3H-1-benzofuran-7-yl)imidazole-1,5-diamine?
4-(2,2-dimethyl-3H-1-benzofuran-7-yl)imidazole-1,5-diamine has a molecular weight of 244.30 g/mol, XLogP of 1.56, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethyl-3H-1-benzofuran-7-yl)imidazole-1,5-diamine is sourced from PubChem (CID 64507030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).