5-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-methylimidazol-4-amine

C14H17N3O2 — CID 115349578

IUPAC5-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-methylimidazol-4-amine
SMILESCOc1cc2c(cc1-c1ncn(C)c1N)OC(C)C2
InChIInChI=1S/C14H17N3O2/c1-8-4-9-5-12(18-3)10(6-11(9)19-8)13-14(15)17(2)7-16-13/h5-8H,4,15H2,1-3H3
InChIKeyUZPDJPKVGKOFRG-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.00
Rot. Bonds2

About 5-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-methylimidazol-4-amine

5-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-methylimidazol-4-amine (PubChem CID 115349578) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-methylimidazol-4-amine.

Molecular Properties

Compound Name5-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-methylimidazol-4-amine
PubChem CID115349578
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name5-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-methylimidazol-4-amine
SMILESCOc1cc2c(cc1-c1ncn(C)c1N)OC(C)C2
InChIInChI=1S/C14H17N3O2/c1-8-4-9-5-12(18-3)10(6-11(9)19-8)13-14(15)17(2)7-16-13/h5-8H,4,15H2,1-3H3
InChIKeyUZPDJPKVGKOFRG-UHFFFAOYSA-N
XLogP2.00
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-prop-2-enylimidazol-4-amine
CID 115349585
2-ethyl-5-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-methylimidazol-4-amine
CID 115349587
2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)pyrimidin-5-amine
CID 115349486
3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,2,4-thiadiazol-5-amine
CID 113291877
4-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-methylimidazole-1,5-diamine
CID 62482979
4,6-dichloro-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-5-methylpyrimidine
CID 115349516
[3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,2-oxazol-5-yl]methanol
CID 115349668
2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazole-4-carboxylic acid
CID 115349479
4-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1H-pyrrole-3-carboxylic acid
CID 115349494
5-iodo-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-N-methylpyrimidin-4-amine
CID 115349615
methyl 2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazole-5-carboxylate
CID 115349493
2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethanamine
CID 3951670

Frequently Asked Questions

What is the IUPAC name of 5-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-methylimidazol-4-amine?
The IUPAC name of 5-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-methylimidazol-4-amine (CID 115349578) is 5-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-methylimidazol-4-amine.
What is the SMILES notation for 5-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-methylimidazol-4-amine?
The canonical SMILES for 5-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-methylimidazol-4-amine is COc1cc2c(cc1-c1ncn(C)c1N)OC(C)C2.
What is the InChIKey of 5-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-methylimidazol-4-amine?
The InChIKey is UZPDJPKVGKOFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-8-4-9-5-12(18-3)10(6-11(9)19-8)13-14(15)17(2)7-16-13/h5-8H,4,15H2,1-3H3.
What are the key properties of 5-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-methylimidazol-4-amine?
5-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-methylimidazol-4-amine has a molecular weight of 259.31 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-methylimidazol-4-amine is sourced from PubChem (CID 115349578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).