N'-propan-2-yl-2-[[5-(N'-propan-2-ylcarbamimidoyl)-1-benzofuran-2-yl]methyl]-1-benzofuran-5-carboximidamide

C25H28N4O2 — CID 23656303

IUPACN'-propan-2-yl-2-[[5-(N'-propan-2-ylcarbamimidoyl)-1-benzofuran-2-yl]methyl]-1-benzofuran-5-carboximidamide
SMILESCC(C)/N=C(\N)c1ccc2oc(Cc3cc4cc(/C(N)=N/C(C)C)ccc4o3)cc2c1
InChIInChI=1S/C25H28N4O2/c1-14(2)28-24(26)16-5-7-22-18(9-16)11-20(30-22)13-21-12-19-10-17(6-8-23(19)31-21)25(27)29-15(3)4/h5-12,14-15H,13H2,1-4H3,(H2,26,28)(H2,27,29)
InChIKeyGSLLPYKPGOZBNE-UHFFFAOYSA-N
MW416.53 g/mol
LogP5.00
Rot. Bonds6

About N'-propan-2-yl-2-[[5-(N'-propan-2-ylcarbamimidoyl)-1-benzofuran-2-yl]methyl]-1-benzofuran-5-carboximidamide

N'-propan-2-yl-2-[[5-(N'-propan-2-ylcarbamimidoyl)-1-benzofuran-2-yl]methyl]-1-benzofuran-5-carboximidamide (PubChem CID 23656303) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is N'-propan-2-yl-2-[[5-(N'-propan-2-ylcarbamimidoyl)-1-benzofuran-2-yl]methyl]-1-benzofuran-5-carboximidamide.

Molecular Properties

Compound NameN'-propan-2-yl-2-[[5-(N'-propan-2-ylcarbamimidoyl)-1-benzofuran-2-yl]methyl]-1-benzofuran-5-carboximidamide
PubChem CID23656303
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC NameN'-propan-2-yl-2-[[5-(N'-propan-2-ylcarbamimidoyl)-1-benzofuran-2-yl]methyl]-1-benzofuran-5-carboximidamide
SMILESCC(C)/N=C(\N)c1ccc2oc(Cc3cc4cc(/C(N)=N/C(C)C)ccc4o3)cc2c1
InChIInChI=1S/C25H28N4O2/c1-14(2)28-24(26)16-5-7-22-18(9-16)11-20(30-22)13-21-12-19-10-17(6-8-23(19)31-21)25(27)29-15(3)4/h5-12,14-15H,13H2,1-4H3,(H2,26,28)(H2,27,29)
InChIKeyGSLLPYKPGOZBNE-UHFFFAOYSA-N
XLogP5.00
TPSA103.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-propan-2-yl-2-[[5-(N'-propan-2-ylcarbamimidoyl)-1-benzofuran-2-yl]methyl]-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 N'-propan-2-yl-2-[[5-(N'-propan-2-ylcarbamimidoyl)-1-benzofuran-2-yl]methyl]-1-benzofuran-5-carboximidamide?
The IUPAC name of N'-propan-2-yl-2-[[5-(N'-propan-2-ylcarbamimidoyl)-1-benzofuran-2-yl]methyl]-1-benzofuran-5-carboximidamide (CID 23656303) is N'-propan-2-yl-2-[[5-(N'-propan-2-ylcarbamimidoyl)-1-benzofuran-2-yl]methyl]-1-benzofuran-5-carboximidamide.
What is the SMILES notation for N'-propan-2-yl-2-[[5-(N'-propan-2-ylcarbamimidoyl)-1-benzofuran-2-yl]methyl]-1-benzofuran-5-carboximidamide?
The canonical SMILES for N'-propan-2-yl-2-[[5-(N'-propan-2-ylcarbamimidoyl)-1-benzofuran-2-yl]methyl]-1-benzofuran-5-carboximidamide is CC(C)/N=C(\N)c1ccc2oc(Cc3cc4cc(/C(N)=N/C(C)C)ccc4o3)cc2c1.
What is the InChIKey of N'-propan-2-yl-2-[[5-(N'-propan-2-ylcarbamimidoyl)-1-benzofuran-2-yl]methyl]-1-benzofuran-5-carboximidamide?
The InChIKey is GSLLPYKPGOZBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-14(2)28-24(26)16-5-7-22-18(9-16)11-20(30-22)13-21-12-19-10-17(6-8-23(19)31-21)25(27)29-15(3)4/h5-12,14-15H,13H2,1-4H3,(H2,26,28)(H2,27,29).
What are the key properties of N'-propan-2-yl-2-[[5-(N'-propan-2-ylcarbamimidoyl)-1-benzofuran-2-yl]methyl]-1-benzofuran-5-carboximidamide?
N'-propan-2-yl-2-[[5-(N'-propan-2-ylcarbamimidoyl)-1-benzofuran-2-yl]methyl]-1-benzofuran-5-carboximidamide has a molecular weight of 416.53 g/mol, XLogP of 5.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propan-2-yl-2-[[5-(N'-propan-2-ylcarbamimidoyl)-1-benzofuran-2-yl]methyl]-1-benzofuran-5-carboximidamide is sourced from PubChem (CID 23656303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).