4-[(E)-4-(4-carbamimidoylphenoxy)but-2-enoxy]benzenecarboximidamide

C18H20N4O2 — CID 6473905

IUPAC4-[(E)-4-(4-carbamimidoylphenoxy)but-2-enoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC/C=C/COc2ccc(/C(N)=N/[H])cc2)cc1
InChIInChI=1S/C18H20N4O2/c19-17(20)13-3-7-15(8-4-13)23-11-1-2-12-24-16-9-5-14(6-10-16)18(21)22/h1-10H,11-12H2,(H3,19,20)(H3,21,22)/b2-1+
InChIKeyMNQAMLJHWQQDHZ-OWOJBTEDSA-N
MW324.38 g/mol
LogP2.27
Rot. Bonds8

About 4-[(E)-4-(4-carbamimidoylphenoxy)but-2-enoxy]benzenecarboximidamide

4-[(E)-4-(4-carbamimidoylphenoxy)but-2-enoxy]benzenecarboximidamide (PubChem CID 6473905) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 4-[(E)-4-(4-carbamimidoylphenoxy)but-2-enoxy]benzenecarboximidamide.

Molecular Properties

Compound Name4-[(E)-4-(4-carbamimidoylphenoxy)but-2-enoxy]benzenecarboximidamide
PubChem CID6473905
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name4-[(E)-4-(4-carbamimidoylphenoxy)but-2-enoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC/C=C/COc2ccc(/C(N)=N/[H])cc2)cc1
InChIInChI=1S/C18H20N4O2/c19-17(20)13-3-7-15(8-4-13)23-11-1-2-12-24-16-9-5-14(6-10-16)18(21)22/h1-10H,11-12H2,(H3,19,20)(H3,21,22)/b2-1+
InChIKeyMNQAMLJHWQQDHZ-OWOJBTEDSA-N
XLogP2.27
TPSA118.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.27
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-[(E)-4-(4-carbamimidoylphenoxy)but-2-enoxy]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

Pentamidine
CID 4735
Pentamidine Isethionate
CID 8813
Hexamidine
CID 65130
Dibrompropamidine
CID 11974
Propamidine
CID 64949
Hexamidine Diisethionate
CID 3080571
Propamidine dihydrochloride
CID 80467
N'-hydroxy-4-methoxybenzene-1-carboximidamide
CID 5360053
Propamidine isethionate
CID 67413
4-[5-(4-Carbamimidoylphenoxy)pentoxy]benzenecarboximidamide;2-hydroxyethanesulfonic acid
CID 359323
Pentamidine dihydrochloride
CID 10431865
4-hexyloxy-N-hydroxybenzamidine
CID 5363804

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-4-(4-carbamimidoylphenoxy)but-2-enoxy]benzenecarboximidamide?
The IUPAC name of 4-[(E)-4-(4-carbamimidoylphenoxy)but-2-enoxy]benzenecarboximidamide (CID 6473905) is 4-[(E)-4-(4-carbamimidoylphenoxy)but-2-enoxy]benzenecarboximidamide.
What is the SMILES notation for 4-[(E)-4-(4-carbamimidoylphenoxy)but-2-enoxy]benzenecarboximidamide?
The canonical SMILES for 4-[(E)-4-(4-carbamimidoylphenoxy)but-2-enoxy]benzenecarboximidamide is [H]/N=C(\N)c1ccc(OC/C=C/COc2ccc(/C(N)=N/[H])cc2)cc1.
What is the InChIKey of 4-[(E)-4-(4-carbamimidoylphenoxy)but-2-enoxy]benzenecarboximidamide?
The InChIKey is MNQAMLJHWQQDHZ-OWOJBTEDSA-N. The full InChI is InChI=1S/C18H20N4O2/c19-17(20)13-3-7-15(8-4-13)23-11-1-2-12-24-16-9-5-14(6-10-16)18(21)22/h1-10H,11-12H2,(H3,19,20)(H3,21,22)/b2-1+.
What are the key properties of 4-[(E)-4-(4-carbamimidoylphenoxy)but-2-enoxy]benzenecarboximidamide?
4-[(E)-4-(4-carbamimidoylphenoxy)but-2-enoxy]benzenecarboximidamide has a molecular weight of 324.38 g/mol, XLogP of 2.27, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-4-(4-carbamimidoylphenoxy)but-2-enoxy]benzenecarboximidamide is sourced from PubChem (CID 6473905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).