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

C16H19N3O2 — CID 115349585

IUPAC5-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-prop-2-enylimidazol-4-amine
SMILESC=CCn1cnc(-c2cc3c(cc2OC)CC(C)O3)c1N
InChIInChI=1S/C16H19N3O2/c1-4-5-19-9-18-15(16(19)17)12-8-13-11(6-10(2)21-13)7-14(12)20-3/h4,7-10H,1,5-6,17H2,2-3H3
InChIKeyGKVPDEYGTWMNTG-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.65
Rot. Bonds4

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

5-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-prop-2-enylimidazol-4-amine (PubChem CID 115349585) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 5-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-prop-2-enylimidazol-4-amine.

Molecular Properties

Compound Name5-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-prop-2-enylimidazol-4-amine
PubChem CID115349585
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name5-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-prop-2-enylimidazol-4-amine
SMILESC=CCn1cnc(-c2cc3c(cc2OC)CC(C)O3)c1N
InChIInChI=1S/C16H19N3O2/c1-4-5-19-9-18-15(16(19)17)12-8-13-11(6-10(2)21-13)7-14(12)20-3/h4,7-10H,1,5-6,17H2,2-3H3
InChIKeyGKVPDEYGTWMNTG-UHFFFAOYSA-N
XLogP2.65
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-methylimidazol-4-amine
CID 115349578
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
5-(4-methoxy-3-methylphenyl)-3-prop-2-enylimidazol-4-amine
CID 62226555
4-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-methylimidazole-1,5-diamine
CID 62482979
3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,2,4-thiadiazol-5-amine
CID 113291877
[3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,2-oxazol-5-yl]methanol
CID 115349668
4,6-dichloro-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-5-methylpyrimidine
CID 115349516
2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethanamine
CID 3951670
1-(6-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanone
CID 83882744
5-(5-chloro-2-fluorophenyl)-3-prop-2-enylimidazol-4-amine
CID 114859665
methyl 2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazole-5-carboxylate
CID 115349493

Frequently Asked Questions

What is the IUPAC name of 5-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-prop-2-enylimidazol-4-amine?
The IUPAC name of 5-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-prop-2-enylimidazol-4-amine (CID 115349585) is 5-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-prop-2-enylimidazol-4-amine.
What is the SMILES notation for 5-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-prop-2-enylimidazol-4-amine?
The canonical SMILES for 5-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-prop-2-enylimidazol-4-amine is C=CCn1cnc(-c2cc3c(cc2OC)CC(C)O3)c1N.
What is the InChIKey of 5-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-prop-2-enylimidazol-4-amine?
The InChIKey is GKVPDEYGTWMNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-4-5-19-9-18-15(16(19)17)12-8-13-11(6-10(2)21-13)7-14(12)20-3/h4,7-10H,1,5-6,17H2,2-3H3.
What are the key properties of 5-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-prop-2-enylimidazol-4-amine?
5-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-prop-2-enylimidazol-4-amine has a molecular weight of 285.35 g/mol, XLogP of 2.65, 4 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-prop-2-enylimidazol-4-amine is sourced from PubChem (CID 115349585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).