4-[[4-[(4-carbamimidoylphenoxy)methyl]naphthalen-2-yl]methoxy]benzenecarboximidamide

C26H24N4O2 — CID 45270256

IUPAC4-[[4-[(4-carbamimidoylphenoxy)methyl]naphthalen-2-yl]methoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCc2cc(COc3ccc(/C(N)=N/[H])cc3)c3ccccc3c2)cc1
InChIInChI=1S/C26H24N4O2/c27-25(28)18-5-9-22(10-6-18)31-15-17-13-20-3-1-2-4-24(20)21(14-17)16-32-23-11-7-19(8-12-23)26(29)30/h1-14H,15-16H2,(H3,27,28)(H3,29,30)
InChIKeyRSTQDTRLSNWQRP-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.57
Rot. Bonds8

About 4-[[4-[(4-carbamimidoylphenoxy)methyl]naphthalen-2-yl]methoxy]benzenecarboximidamide

4-[[4-[(4-carbamimidoylphenoxy)methyl]naphthalen-2-yl]methoxy]benzenecarboximidamide (PubChem CID 45270256) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is 4-[[4-[(4-carbamimidoylphenoxy)methyl]naphthalen-2-yl]methoxy]benzenecarboximidamide.

Molecular Properties

Compound Name4-[[4-[(4-carbamimidoylphenoxy)methyl]naphthalen-2-yl]methoxy]benzenecarboximidamide
PubChem CID45270256
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC Name4-[[4-[(4-carbamimidoylphenoxy)methyl]naphthalen-2-yl]methoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCc2cc(COc3ccc(/C(N)=N/[H])cc3)c3ccccc3c2)cc1
InChIInChI=1S/C26H24N4O2/c27-25(28)18-5-9-22(10-6-18)31-15-17-13-20-3-1-2-4-24(20)21(14-17)16-32-23-11-7-19(8-12-23)26(29)30/h1-14H,15-16H2,(H3,27,28)(H3,29,30)
InChIKeyRSTQDTRLSNWQRP-UHFFFAOYSA-N
XLogP4.57
TPSA118.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.57
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-[[4-[(4-carbamimidoylphenoxy)methyl]naphthalen-2-yl]methoxy]benzenecarboximidamide?
The IUPAC name of 4-[[4-[(4-carbamimidoylphenoxy)methyl]naphthalen-2-yl]methoxy]benzenecarboximidamide (CID 45270256) is 4-[[4-[(4-carbamimidoylphenoxy)methyl]naphthalen-2-yl]methoxy]benzenecarboximidamide.
What is the SMILES notation for 4-[[4-[(4-carbamimidoylphenoxy)methyl]naphthalen-2-yl]methoxy]benzenecarboximidamide?
The canonical SMILES for 4-[[4-[(4-carbamimidoylphenoxy)methyl]naphthalen-2-yl]methoxy]benzenecarboximidamide is [H]/N=C(\N)c1ccc(OCc2cc(COc3ccc(/C(N)=N/[H])cc3)c3ccccc3c2)cc1.
What is the InChIKey of 4-[[4-[(4-carbamimidoylphenoxy)methyl]naphthalen-2-yl]methoxy]benzenecarboximidamide?
The InChIKey is RSTQDTRLSNWQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2/c27-25(28)18-5-9-22(10-6-18)31-15-17-13-20-3-1-2-4-24(20)21(14-17)16-32-23-11-7-19(8-12-23)26(29)30/h1-14H,15-16H2,(H3,27,28)(H3,29,30).
What are the key properties of 4-[[4-[(4-carbamimidoylphenoxy)methyl]naphthalen-2-yl]methoxy]benzenecarboximidamide?
4-[[4-[(4-carbamimidoylphenoxy)methyl]naphthalen-2-yl]methoxy]benzenecarboximidamide has a molecular weight of 424.50 g/mol, XLogP of 4.57, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(4-carbamimidoylphenoxy)methyl]naphthalen-2-yl]methoxy]benzenecarboximidamide is sourced from PubChem (CID 45270256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).