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

C14H18N4O — CID 64507252

IUPAC4-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-methylimidazole-1,5-diamine
SMILESCc1nc(-c2cccc3c2OC(C)(C)C3)c(N)n1N
InChIInChI=1S/C14H18N4O/c1-8-17-11(13(15)18(8)16)10-6-4-5-9-7-14(2,3)19-12(9)10/h4-6H,7,15-16H2,1-3H3
InChIKeyVAZCUEBKYVHOJV-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.87
Rot. Bonds1

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

4-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-methylimidazole-1,5-diamine (PubChem CID 64507252) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-methylimidazole-1,5-diamine.

Molecular Properties

Compound Name4-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-methylimidazole-1,5-diamine
PubChem CID64507252
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name4-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-methylimidazole-1,5-diamine
SMILESCc1nc(-c2cccc3c2OC(C)(C)C3)c(N)n1N
InChIInChI=1S/C14H18N4O/c1-8-17-11(13(15)18(8)16)10-6-4-5-9-7-14(2,3)19-12(9)10/h4-6H,7,15-16H2,1-3H3
InChIKeyVAZCUEBKYVHOJV-UHFFFAOYSA-N
XLogP1.87
TPSA79.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.87
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)-2-methylimidazole-1,5-diamine?
The IUPAC name of 4-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-methylimidazole-1,5-diamine (CID 64507252) is 4-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-methylimidazole-1,5-diamine.
What is the SMILES notation for 4-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-methylimidazole-1,5-diamine?
The canonical SMILES for 4-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-methylimidazole-1,5-diamine is Cc1nc(-c2cccc3c2OC(C)(C)C3)c(N)n1N.
What is the InChIKey of 4-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-methylimidazole-1,5-diamine?
The InChIKey is VAZCUEBKYVHOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-8-17-11(13(15)18(8)16)10-6-4-5-9-7-14(2,3)19-12(9)10/h4-6H,7,15-16H2,1-3H3.
What are the key properties of 4-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-methylimidazole-1,5-diamine?
4-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-methylimidazole-1,5-diamine has a molecular weight of 258.32 g/mol, XLogP of 1.87, 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)-2-methylimidazole-1,5-diamine is sourced from PubChem (CID 64507252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).