4-[3-(4-carbamimidoylphenoxy)phenoxy]benzenecarboximidamide

C20H18N4O2 — CID 10315612

IUPAC4-[3-(4-carbamimidoylphenoxy)phenoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2cccc(Oc3ccc(/C(N)=N/[H])cc3)c2)cc1
InChIInChI=1S/C20H18N4O2/c21-19(22)13-4-8-15(9-5-13)25-17-2-1-3-18(12-17)26-16-10-6-14(7-11-16)20(23)24/h1-12H,(H3,21,22)(H3,23,24)
InChIKeyXWYDBEAPGXZEHX-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.84
Rot. Bonds6

About 4-[3-(4-carbamimidoylphenoxy)phenoxy]benzenecarboximidamide

4-[3-(4-carbamimidoylphenoxy)phenoxy]benzenecarboximidamide (PubChem CID 10315612) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 4-[3-(4-carbamimidoylphenoxy)phenoxy]benzenecarboximidamide.

Molecular Properties

Compound Name4-[3-(4-carbamimidoylphenoxy)phenoxy]benzenecarboximidamide
PubChem CID10315612
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name4-[3-(4-carbamimidoylphenoxy)phenoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2cccc(Oc3ccc(/C(N)=N/[H])cc3)c2)cc1
InChIInChI=1S/C20H18N4O2/c21-19(22)13-4-8-15(9-5-13)25-17-2-1-3-18(12-17)26-16-10-6-14(7-11-16)20(23)24/h1-12H,(H3,21,22)(H3,23,24)
InChIKeyXWYDBEAPGXZEHX-UHFFFAOYSA-N
XLogP3.84
TPSA118.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 4-[3-(4-carbamimidoylphenoxy)phenoxy]benzenecarboximidamide?
The IUPAC name of 4-[3-(4-carbamimidoylphenoxy)phenoxy]benzenecarboximidamide (CID 10315612) is 4-[3-(4-carbamimidoylphenoxy)phenoxy]benzenecarboximidamide.
What is the SMILES notation for 4-[3-(4-carbamimidoylphenoxy)phenoxy]benzenecarboximidamide?
The canonical SMILES for 4-[3-(4-carbamimidoylphenoxy)phenoxy]benzenecarboximidamide is [H]/N=C(\N)c1ccc(Oc2cccc(Oc3ccc(/C(N)=N/[H])cc3)c2)cc1.
What is the InChIKey of 4-[3-(4-carbamimidoylphenoxy)phenoxy]benzenecarboximidamide?
The InChIKey is XWYDBEAPGXZEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c21-19(22)13-4-8-15(9-5-13)25-17-2-1-3-18(12-17)26-16-10-6-14(7-11-16)20(23)24/h1-12H,(H3,21,22)(H3,23,24).
What are the key properties of 4-[3-(4-carbamimidoylphenoxy)phenoxy]benzenecarboximidamide?
4-[3-(4-carbamimidoylphenoxy)phenoxy]benzenecarboximidamide has a molecular weight of 346.39 g/mol, XLogP of 3.84, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-carbamimidoylphenoxy)phenoxy]benzenecarboximidamide is sourced from PubChem (CID 10315612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).