4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide

C19H24N4O2 — CID 4735

💊View drug profile → pentamidine
IUPAC4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCCCCOc2ccc(/C(N)=N/[H])cc2)cc1
InChIInChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)
InChIKeyXDRYMKDFEDOLFX-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.88
Rot. Bonds10

About 4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide

4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide (PubChem CID 4735) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide.

Molecular Properties

Compound Name4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide
PubChem CID4735
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCCCCOc2ccc(/C(N)=N/[H])cc2)cc1
InChIInChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)
InChIKeyXDRYMKDFEDOLFX-UHFFFAOYSA-N
XLogP2.88
TPSA118.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 4-[5-(4-carbamimidoylphenoxy)pentoxy]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 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
4-Methoxybenzenecarboximidamide
CID 229074
T-2307 free base
CID 9803135
4-[[(1R,2R)-2-[(4-carbamimidoylphenoxy)methyl]cyclopropyl]methoxy]benzamidine
CID 480179
4-[5-(4-Carbamimidoylphenoxy)pentoxy]benzenecarboximidamide;2-hydroxyethanesulfonic acid
CID 359323
4,4'-(1,4-Butanediylbis(oxy))bis-benzenecarboximidamide
CID 129419

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide?
The IUPAC name of 4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide (CID 4735) is 4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide.
What is the SMILES notation for 4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide?
The canonical SMILES for 4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide is [H]/N=C(\N)c1ccc(OCCCCCOc2ccc(/C(N)=N/[H])cc2)cc1.
What is the InChIKey of 4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide?
The InChIKey is XDRYMKDFEDOLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23).
What are the key properties of 4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide?
4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide has a molecular weight of 340.43 g/mol, XLogP of 2.88, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide is sourced from PubChem (CID 4735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).