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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Related Compounds

4-(2,2-dimethyl-3H-1-benzofuran-7-yl)imidazole-1,5-diamine
CID 64507030
5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-methylimidazol-4-amine
CID 64506808
2-(2,2-dimethyl-3H-1-benzofuran-7-yl)pyrimidin-5-amine
CID 64506787
6-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5-methylquinazoline-2,4-diamine
CID 56698151
4-(chloromethyl)-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1,3-thiazole
CID 64506573
5-bromo-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)pyrimidin-4-amine
CID 66296826
4,6-dichloro-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5-iodopyrimidine
CID 66311639
6-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5-methyl-4,5-dihydropyridazin-3-amine
CID 64691570
2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 64509038
6-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5-ethyl-4,5-dihydropyridazin-3-amine
CID 64690327
4-chloro-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-6-ethyl-5-methylpyrimidine
CID 64506792
2-(1,5-diamino-2-methylimidazol-4-yl)benzonitrile
CID 107936690

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).