N'-benzyl-3-[5-[3-(N'-benzylcarbamimidoyl)phenyl]furan-2-yl]benzenecarboximidamide

C32H28N4O — CID 169205876

IUPACN'-benzyl-3-[5-[3-(N'-benzylcarbamimidoyl)phenyl]furan-2-yl]benzenecarboximidamide
SMILESN/C(=N\Cc1ccccc1)c1cccc(-c2ccc(-c3cccc(/C(N)=N/Cc4ccccc4)c3)o2)c1
InChIInChI=1S/C32H28N4O/c33-31(35-21-23-9-3-1-4-10-23)27-15-7-13-25(19-27)29-17-18-30(37-29)26-14-8-16-28(20-26)32(34)36-22-24-11-5-2-6-12-24/h1-20H,21-22H2,(H2,33,35)(H2,34,36)
InChIKeyPSYWSOSESGTSCJ-UHFFFAOYSA-N
MW484.60 g/mol
LogP6.42
Rot. Bonds8

About N'-benzyl-3-[5-[3-(N'-benzylcarbamimidoyl)phenyl]furan-2-yl]benzenecarboximidamide

N'-benzyl-3-[5-[3-(N'-benzylcarbamimidoyl)phenyl]furan-2-yl]benzenecarboximidamide (PubChem CID 169205876) has the molecular formula C32H28N4O and a molecular weight of 484.60 g/mol. Its IUPAC name is N'-benzyl-3-[5-[3-(N'-benzylcarbamimidoyl)phenyl]furan-2-yl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-benzyl-3-[5-[3-(N'-benzylcarbamimidoyl)phenyl]furan-2-yl]benzenecarboximidamide
PubChem CID169205876
Molecular FormulaC32H28N4O
Molecular Weight484.60 g/mol
Exact Mass484.23
IUPAC NameN'-benzyl-3-[5-[3-(N'-benzylcarbamimidoyl)phenyl]furan-2-yl]benzenecarboximidamide
SMILESN/C(=N\Cc1ccccc1)c1cccc(-c2ccc(-c3cccc(/C(N)=N/Cc4ccccc4)c3)o2)c1
InChIInChI=1S/C32H28N4O/c33-31(35-21-23-9-3-1-4-10-23)27-15-7-13-25(19-27)29-17-18-30(37-29)26-14-8-16-28(20-26)32(34)36-22-24-11-5-2-6-12-24/h1-20H,21-22H2,(H2,33,35)(H2,34,36)
InChIKeyPSYWSOSESGTSCJ-UHFFFAOYSA-N
XLogP6.42
TPSA89.90 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.60
LogP ≤ 56.42
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'}

Analyze N'-benzyl-3-[5-[3-(N'-benzylcarbamimidoyl)phenyl]furan-2-yl]benzenecarboximidamide with MolForge

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

Launch Full Analysis

Related Compounds

N'-benzyl-3-phenylbenzenecarboximidamide
CID 142527130
N'-[(4-chlorophenyl)methyl]-4-[5-[4-[N'-[(4-chlorophenyl)methyl]carbamimidoyl]phenyl]furan-2-yl]benzenecarboximidamide
CID 169205783
N'-[(3-cyanophenyl)methyl]benzenecarboximidamide
CID 63175867
N'-benzyl-3-[4-[12-(3-isocyanophenyl)chrysen-6-yl]naphthalen-1-yl]benzenecarboximidamide
CID 164766385
2-[2-[3-[5-[3-[2-(diaminomethylideneamino)ethyl]phenyl]furan-2-yl]phenyl]ethyl]guanidine
CID 71679271
N'-benzyl-2,1,3-benzothiadiazole-5-carboximidamide
CID 20706472
N'-[C-(4-methylphenyl)-N-[(3-phenylphenyl)methyl]carbonimidoyl]-3-phenylbenzenecarboximidamide
CID 144645775
N'-[(2-chlorophenyl)methyl]-4-[5-[4-[N'-[(2-chlorophenyl)methyl]carbamimidoyl]phenyl]furan-2-yl]benzenecarboximidamide
CID 169205786
N'-[(3-chlorophenyl)methyl]-3-fluorobenzenecarboximidamide
CID 20706457
N-[amino-(3-phenylphenyl)methylidene]-N'-benzylpentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene-21-carboximidamide
CID 145340289
N'-benzylbenzenecarboximidamide;N-[[3-[3-(4,6,8-triphenyldibenzofuran-1-yl)phenyl]phenyl]methyl]methanimine
CID 153340652
N'-hydroxy-6-[5-[3-(N'-hydroxycarbamimidoyl)phenyl]furan-2-yl]pyridine-3-carboximidamide
CID 172928997

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-3-[5-[3-(N'-benzylcarbamimidoyl)phenyl]furan-2-yl]benzenecarboximidamide?
The IUPAC name of N'-benzyl-3-[5-[3-(N'-benzylcarbamimidoyl)phenyl]furan-2-yl]benzenecarboximidamide (CID 169205876) is N'-benzyl-3-[5-[3-(N'-benzylcarbamimidoyl)phenyl]furan-2-yl]benzenecarboximidamide.
What is the SMILES notation for N'-benzyl-3-[5-[3-(N'-benzylcarbamimidoyl)phenyl]furan-2-yl]benzenecarboximidamide?
The canonical SMILES for N'-benzyl-3-[5-[3-(N'-benzylcarbamimidoyl)phenyl]furan-2-yl]benzenecarboximidamide is N/C(=N\Cc1ccccc1)c1cccc(-c2ccc(-c3cccc(/C(N)=N/Cc4ccccc4)c3)o2)c1.
What is the InChIKey of N'-benzyl-3-[5-[3-(N'-benzylcarbamimidoyl)phenyl]furan-2-yl]benzenecarboximidamide?
The InChIKey is PSYWSOSESGTSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N4O/c33-31(35-21-23-9-3-1-4-10-23)27-15-7-13-25(19-27)29-17-18-30(37-29)26-14-8-16-28(20-26)32(34)36-22-24-11-5-2-6-12-24/h1-20H,21-22H2,(H2,33,35)(H2,34,36).
What are the key properties of N'-benzyl-3-[5-[3-(N'-benzylcarbamimidoyl)phenyl]furan-2-yl]benzenecarboximidamide?
N'-benzyl-3-[5-[3-(N'-benzylcarbamimidoyl)phenyl]furan-2-yl]benzenecarboximidamide has a molecular weight of 484.60 g/mol, XLogP of 6.42, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-3-[5-[3-(N'-benzylcarbamimidoyl)phenyl]furan-2-yl]benzenecarboximidamide is sourced from PubChem (CID 169205876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).