N'-[(8-hydroxydibenzofuran-1-yl)methyl]benzenecarboximidamide

C20H16N2O2 — CID 153369404

IUPACN'-[(8-hydroxydibenzofuran-1-yl)methyl]benzenecarboximidamide
SMILESN/C(=N\Cc1cccc2oc3ccc(O)cc3c12)c1ccccc1
InChIInChI=1S/C20H16N2O2/c21-20(13-5-2-1-3-6-13)22-12-14-7-4-8-18-19(14)16-11-15(23)9-10-17(16)24-18/h1-11,23H,12H2,(H2,21,22)
InChIKeyRTTDFQNAEYKRMW-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.20
Rot. Bonds3

About N'-[(8-hydroxydibenzofuran-1-yl)methyl]benzenecarboximidamide

N'-[(8-hydroxydibenzofuran-1-yl)methyl]benzenecarboximidamide (PubChem CID 153369404) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is N'-[(8-hydroxydibenzofuran-1-yl)methyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-[(8-hydroxydibenzofuran-1-yl)methyl]benzenecarboximidamide
PubChem CID153369404
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC NameN'-[(8-hydroxydibenzofuran-1-yl)methyl]benzenecarboximidamide
SMILESN/C(=N\Cc1cccc2oc3ccc(O)cc3c12)c1ccccc1
InChIInChI=1S/C20H16N2O2/c21-20(13-5-2-1-3-6-13)22-12-14-7-4-8-18-19(14)16-11-15(23)9-10-17(16)24-18/h1-11,23H,12H2,(H2,21,22)
InChIKeyRTTDFQNAEYKRMW-UHFFFAOYSA-N
XLogP4.20
TPSA71.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(8-hydroxydibenzofuran-1-yl)methyl]benzenecarboximidamide?
The IUPAC name of N'-[(8-hydroxydibenzofuran-1-yl)methyl]benzenecarboximidamide (CID 153369404) is N'-[(8-hydroxydibenzofuran-1-yl)methyl]benzenecarboximidamide.
What is the SMILES notation for N'-[(8-hydroxydibenzofuran-1-yl)methyl]benzenecarboximidamide?
The canonical SMILES for N'-[(8-hydroxydibenzofuran-1-yl)methyl]benzenecarboximidamide is N/C(=N\Cc1cccc2oc3ccc(O)cc3c12)c1ccccc1.
What is the InChIKey of N'-[(8-hydroxydibenzofuran-1-yl)methyl]benzenecarboximidamide?
The InChIKey is RTTDFQNAEYKRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2/c21-20(13-5-2-1-3-6-13)22-12-14-7-4-8-18-19(14)16-11-15(23)9-10-17(16)24-18/h1-11,23H,12H2,(H2,21,22).
What are the key properties of N'-[(8-hydroxydibenzofuran-1-yl)methyl]benzenecarboximidamide?
N'-[(8-hydroxydibenzofuran-1-yl)methyl]benzenecarboximidamide has a molecular weight of 316.36 g/mol, XLogP of 4.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(8-hydroxydibenzofuran-1-yl)methyl]benzenecarboximidamide is sourced from PubChem (CID 153369404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).