3-[[5-[(3-carbamimidoylphenoxy)methyl]naphthalen-1-yl]methoxy]benzenecarboximidamide

C26H24N4O2 — CID 45271080

IUPAC3-[[5-[(3-carbamimidoylphenoxy)methyl]naphthalen-1-yl]methoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(OCc2cccc3c(COc4cccc(/C(N)=N/[H])c4)cccc23)c1
InChIInChI=1S/C26H24N4O2/c27-25(28)17-5-1-9-21(13-17)31-15-19-7-3-12-24-20(8-4-11-23(19)24)16-32-22-10-2-6-18(14-22)26(29)30/h1-14H,15-16H2,(H3,27,28)(H3,29,30)
InChIKeyMQFFXRCLXCVDAI-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.57
Rot. Bonds8

About 3-[[5-[(3-carbamimidoylphenoxy)methyl]naphthalen-1-yl]methoxy]benzenecarboximidamide

3-[[5-[(3-carbamimidoylphenoxy)methyl]naphthalen-1-yl]methoxy]benzenecarboximidamide (PubChem CID 45271080) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is 3-[[5-[(3-carbamimidoylphenoxy)methyl]naphthalen-1-yl]methoxy]benzenecarboximidamide.

Molecular Properties

Compound Name3-[[5-[(3-carbamimidoylphenoxy)methyl]naphthalen-1-yl]methoxy]benzenecarboximidamide
PubChem CID45271080
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC Name3-[[5-[(3-carbamimidoylphenoxy)methyl]naphthalen-1-yl]methoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(OCc2cccc3c(COc4cccc(/C(N)=N/[H])c4)cccc23)c1
InChIInChI=1S/C26H24N4O2/c27-25(28)17-5-1-9-21(13-17)31-15-19-7-3-12-24-20(8-4-11-23(19)24)16-32-22-10-2-6-18(14-22)26(29)30/h1-14H,15-16H2,(H3,27,28)(H3,29,30)
InChIKeyMQFFXRCLXCVDAI-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'}

Analyze 3-[[5-[(3-carbamimidoylphenoxy)methyl]naphthalen-1-yl]methoxy]benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[5-[(3-carbamimidoylphenoxy)methyl]naphthalen-1-yl]methoxy]benzenecarboximidamide?
The IUPAC name of 3-[[5-[(3-carbamimidoylphenoxy)methyl]naphthalen-1-yl]methoxy]benzenecarboximidamide (CID 45271080) is 3-[[5-[(3-carbamimidoylphenoxy)methyl]naphthalen-1-yl]methoxy]benzenecarboximidamide.
What is the SMILES notation for 3-[[5-[(3-carbamimidoylphenoxy)methyl]naphthalen-1-yl]methoxy]benzenecarboximidamide?
The canonical SMILES for 3-[[5-[(3-carbamimidoylphenoxy)methyl]naphthalen-1-yl]methoxy]benzenecarboximidamide is [H]/N=C(\N)c1cccc(OCc2cccc3c(COc4cccc(/C(N)=N/[H])c4)cccc23)c1.
What is the InChIKey of 3-[[5-[(3-carbamimidoylphenoxy)methyl]naphthalen-1-yl]methoxy]benzenecarboximidamide?
The InChIKey is MQFFXRCLXCVDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2/c27-25(28)17-5-1-9-21(13-17)31-15-19-7-3-12-24-20(8-4-11-23(19)24)16-32-22-10-2-6-18(14-22)26(29)30/h1-14H,15-16H2,(H3,27,28)(H3,29,30).
What are the key properties of 3-[[5-[(3-carbamimidoylphenoxy)methyl]naphthalen-1-yl]methoxy]benzenecarboximidamide?
3-[[5-[(3-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 3-[[5-[(3-carbamimidoylphenoxy)methyl]naphthalen-1-yl]methoxy]benzenecarboximidamide is sourced from PubChem (CID 45271080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).