4-[[5-[(4-carbamimidoylphenoxy)methyl]naphthalen-1-yl]methoxy]benzenecarboximidamide

C26H24N4O2 — CID 45273756

IUPAC4-[[5-[(4-carbamimidoylphenoxy)methyl]naphthalen-1-yl]methoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCc2cccc3c(COc4ccc(/C(N)=N/[H])cc4)cccc23)cc1
InChIInChI=1S/C26H24N4O2/c27-25(28)17-7-11-21(12-8-17)31-15-19-3-1-5-23-20(4-2-6-24(19)23)16-32-22-13-9-18(10-14-22)26(29)30/h1-14H,15-16H2,(H3,27,28)(H3,29,30)
InChIKeyWQXCKIVVLKCPOL-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.57
Rot. Bonds8

About 4-[[5-[(4-carbamimidoylphenoxy)methyl]naphthalen-1-yl]methoxy]benzenecarboximidamide

4-[[5-[(4-carbamimidoylphenoxy)methyl]naphthalen-1-yl]methoxy]benzenecarboximidamide (PubChem CID 45273756) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is 4-[[5-[(4-carbamimidoylphenoxy)methyl]naphthalen-1-yl]methoxy]benzenecarboximidamide.

Molecular Properties

Compound Name4-[[5-[(4-carbamimidoylphenoxy)methyl]naphthalen-1-yl]methoxy]benzenecarboximidamide
PubChem CID45273756
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC Name4-[[5-[(4-carbamimidoylphenoxy)methyl]naphthalen-1-yl]methoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCc2cccc3c(COc4ccc(/C(N)=N/[H])cc4)cccc23)cc1
InChIInChI=1S/C26H24N4O2/c27-25(28)17-7-11-21(12-8-17)31-15-19-3-1-5-23-20(4-2-6-24(19)23)16-32-22-13-9-18(10-14-22)26(29)30/h1-14H,15-16H2,(H3,27,28)(H3,29,30)
InChIKeyWQXCKIVVLKCPOL-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-[[5-[(4-carbamimidoylphenoxy)methyl]naphthalen-1-yl]methoxy]benzenecarboximidamide?
The IUPAC name of 4-[[5-[(4-carbamimidoylphenoxy)methyl]naphthalen-1-yl]methoxy]benzenecarboximidamide (CID 45273756) is 4-[[5-[(4-carbamimidoylphenoxy)methyl]naphthalen-1-yl]methoxy]benzenecarboximidamide.
What is the SMILES notation for 4-[[5-[(4-carbamimidoylphenoxy)methyl]naphthalen-1-yl]methoxy]benzenecarboximidamide?
The canonical SMILES for 4-[[5-[(4-carbamimidoylphenoxy)methyl]naphthalen-1-yl]methoxy]benzenecarboximidamide is [H]/N=C(\N)c1ccc(OCc2cccc3c(COc4ccc(/C(N)=N/[H])cc4)cccc23)cc1.
What is the InChIKey of 4-[[5-[(4-carbamimidoylphenoxy)methyl]naphthalen-1-yl]methoxy]benzenecarboximidamide?
The InChIKey is WQXCKIVVLKCPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2/c27-25(28)17-7-11-21(12-8-17)31-15-19-3-1-5-23-20(4-2-6-24(19)23)16-32-22-13-9-18(10-14-22)26(29)30/h1-14H,15-16H2,(H3,27,28)(H3,29,30).
What are the key properties of 4-[[5-[(4-carbamimidoylphenoxy)methyl]naphthalen-1-yl]methoxy]benzenecarboximidamide?
4-[[5-[(4-carbamimidoylphenoxy)methyl]naphthalen-1-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-[[5-[(4-carbamimidoylphenoxy)methyl]naphthalen-1-yl]methoxy]benzenecarboximidamide is sourced from PubChem (CID 45273756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).