2-[5-(5-carbamimidoyl-1-benzofuran-2-yl)pentyl]-1-benzofuran-5-carboximidamide

C23H24N4O2 — CID 11153457

IUPAC2-[5-(5-carbamimidoyl-1-benzofuran-2-yl)pentyl]-1-benzofuran-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc2oc(CCCCCc3cc4cc(/C(N)=N/[H])ccc4o3)cc2c1
InChIInChI=1S/C23H24N4O2/c24-22(25)14-6-8-20-16(10-14)12-18(28-20)4-2-1-3-5-19-13-17-11-15(23(26)27)7-9-21(17)29-19/h6-13H,1-5H2,(H3,24,25)(H3,26,27)
InChIKeyMUXFMQXBUYAXNY-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.70
Rot. Bonds8

About 2-[5-(5-carbamimidoyl-1-benzofuran-2-yl)pentyl]-1-benzofuran-5-carboximidamide

2-[5-(5-carbamimidoyl-1-benzofuran-2-yl)pentyl]-1-benzofuran-5-carboximidamide (PubChem CID 11153457) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-[5-(5-carbamimidoyl-1-benzofuran-2-yl)pentyl]-1-benzofuran-5-carboximidamide.

Molecular Properties

Compound Name2-[5-(5-carbamimidoyl-1-benzofuran-2-yl)pentyl]-1-benzofuran-5-carboximidamide
PubChem CID11153457
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name2-[5-(5-carbamimidoyl-1-benzofuran-2-yl)pentyl]-1-benzofuran-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc2oc(CCCCCc3cc4cc(/C(N)=N/[H])ccc4o3)cc2c1
InChIInChI=1S/C23H24N4O2/c24-22(25)14-6-8-20-16(10-14)12-18(28-20)4-2-1-3-5-19-13-17-11-15(23(26)27)7-9-21(17)29-19/h6-13H,1-5H2,(H3,24,25)(H3,26,27)
InChIKeyMUXFMQXBUYAXNY-UHFFFAOYSA-N
XLogP4.70
TPSA126.02 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.70
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 2-[5-(5-carbamimidoyl-1-benzofuran-2-yl)pentyl]-1-benzofuran-5-carboximidamide 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 2-[5-(5-carbamimidoyl-1-benzofuran-2-yl)pentyl]-1-benzofuran-5-carboximidamide?
The IUPAC name of 2-[5-(5-carbamimidoyl-1-benzofuran-2-yl)pentyl]-1-benzofuran-5-carboximidamide (CID 11153457) is 2-[5-(5-carbamimidoyl-1-benzofuran-2-yl)pentyl]-1-benzofuran-5-carboximidamide.
What is the SMILES notation for 2-[5-(5-carbamimidoyl-1-benzofuran-2-yl)pentyl]-1-benzofuran-5-carboximidamide?
The canonical SMILES for 2-[5-(5-carbamimidoyl-1-benzofuran-2-yl)pentyl]-1-benzofuran-5-carboximidamide is [H]/N=C(\N)c1ccc2oc(CCCCCc3cc4cc(/C(N)=N/[H])ccc4o3)cc2c1.
What is the InChIKey of 2-[5-(5-carbamimidoyl-1-benzofuran-2-yl)pentyl]-1-benzofuran-5-carboximidamide?
The InChIKey is MUXFMQXBUYAXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c24-22(25)14-6-8-20-16(10-14)12-18(28-20)4-2-1-3-5-19-13-17-11-15(23(26)27)7-9-21(17)29-19/h6-13H,1-5H2,(H3,24,25)(H3,26,27).
What are the key properties of 2-[5-(5-carbamimidoyl-1-benzofuran-2-yl)pentyl]-1-benzofuran-5-carboximidamide?
2-[5-(5-carbamimidoyl-1-benzofuran-2-yl)pentyl]-1-benzofuran-5-carboximidamide has a molecular weight of 388.47 g/mol, XLogP of 4.70, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-carbamimidoyl-1-benzofuran-2-yl)pentyl]-1-benzofuran-5-carboximidamide is sourced from PubChem (CID 11153457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).