2-[3-(5-amino-2-oxopentyl)-2-iminobenzimidazol-1-yl]-N-(3-aminopropyl)acetamide

C17H26N6O2 — CID 56659629

IUPAC2-[3-(5-amino-2-oxopentyl)-2-iminobenzimidazol-1-yl]-N-(3-aminopropyl)acetamide
SMILES[H]/N=c1\n(CC(=O)CCCN)c2ccccc2n1CC(=O)NCCCN
InChIInChI=1S/C17H26N6O2/c18-8-3-5-13(24)11-22-14-6-1-2-7-15(14)23(17(22)20)12-16(25)21-10-4-9-19/h1-2,6-7,20H,3-5,8-12,18-19H2,(H,21,25)/b20-17+
InChIKeyGBZAHWROLZOONL-LVZFUZTISA-N
MW346.44 g/mol
LogP-0.30
Rot. Bonds10

About 2-[3-(5-amino-2-oxopentyl)-2-iminobenzimidazol-1-yl]-N-(3-aminopropyl)acetamide

2-[3-(5-amino-2-oxopentyl)-2-iminobenzimidazol-1-yl]-N-(3-aminopropyl)acetamide (PubChem CID 56659629) has the molecular formula C17H26N6O2 and a molecular weight of 346.44 g/mol. Its IUPAC name is 2-[3-(5-amino-2-oxopentyl)-2-iminobenzimidazol-1-yl]-N-(3-aminopropyl)acetamide.

Molecular Properties

Compound Name2-[3-(5-amino-2-oxopentyl)-2-iminobenzimidazol-1-yl]-N-(3-aminopropyl)acetamide
PubChem CID56659629
Molecular FormulaC17H26N6O2
Molecular Weight346.44 g/mol
Exact Mass346.21
IUPAC Name2-[3-(5-amino-2-oxopentyl)-2-iminobenzimidazol-1-yl]-N-(3-aminopropyl)acetamide
SMILES[H]/N=c1\n(CC(=O)CCCN)c2ccccc2n1CC(=O)NCCCN
InChIInChI=1S/C17H26N6O2/c18-8-3-5-13(24)11-22-14-6-1-2-7-15(14)23(17(22)20)12-16(25)21-10-4-9-19/h1-2,6-7,20H,3-5,8-12,18-19H2,(H,21,25)/b20-17+
InChIKeyGBZAHWROLZOONL-LVZFUZTISA-N
XLogP-0.30
TPSA131.92 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 5-0.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-amino-2-oxopentyl)-2-iminobenzimidazol-1-yl]-N-(3-aminopropyl)acetamide?
The IUPAC name of 2-[3-(5-amino-2-oxopentyl)-2-iminobenzimidazol-1-yl]-N-(3-aminopropyl)acetamide (CID 56659629) is 2-[3-(5-amino-2-oxopentyl)-2-iminobenzimidazol-1-yl]-N-(3-aminopropyl)acetamide.
What is the SMILES notation for 2-[3-(5-amino-2-oxopentyl)-2-iminobenzimidazol-1-yl]-N-(3-aminopropyl)acetamide?
The canonical SMILES for 2-[3-(5-amino-2-oxopentyl)-2-iminobenzimidazol-1-yl]-N-(3-aminopropyl)acetamide is [H]/N=c1\n(CC(=O)CCCN)c2ccccc2n1CC(=O)NCCCN.
What is the InChIKey of 2-[3-(5-amino-2-oxopentyl)-2-iminobenzimidazol-1-yl]-N-(3-aminopropyl)acetamide?
The InChIKey is GBZAHWROLZOONL-LVZFUZTISA-N. The full InChI is InChI=1S/C17H26N6O2/c18-8-3-5-13(24)11-22-14-6-1-2-7-15(14)23(17(22)20)12-16(25)21-10-4-9-19/h1-2,6-7,20H,3-5,8-12,18-19H2,(H,21,25)/b20-17+.
What are the key properties of 2-[3-(5-amino-2-oxopentyl)-2-iminobenzimidazol-1-yl]-N-(3-aminopropyl)acetamide?
2-[3-(5-amino-2-oxopentyl)-2-iminobenzimidazol-1-yl]-N-(3-aminopropyl)acetamide has a molecular weight of 346.44 g/mol, XLogP of -0.30, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-amino-2-oxopentyl)-2-iminobenzimidazol-1-yl]-N-(3-aminopropyl)acetamide is sourced from PubChem (CID 56659629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).