2-benzamido-N-(3-imidazol-1-ylpropyl)benzamide

C20H20N4O2 — CID 662097

IUPAC2-benzamido-N-(3-imidazol-1-ylpropyl)benzamide
SMILESO=C(Nc1ccccc1C(=O)NCCCn1ccnc1)c1ccccc1
InChIInChI=1S/C20H20N4O2/c25-19(16-7-2-1-3-8-16)23-18-10-5-4-9-17(18)20(26)22-11-6-13-24-14-12-21-15-24/h1-5,7-10,12,14-15H,6,11,13H2,(H,22,26)(H,23,25)
InChIKeyBYSMOZXJNKBUAF-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.96
Rot. Bonds7

About 2-benzamido-N-(3-imidazol-1-ylpropyl)benzamide

2-benzamido-N-(3-imidazol-1-ylpropyl)benzamide (PubChem CID 662097) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-benzamido-N-(3-imidazol-1-ylpropyl)benzamide.

Molecular Properties

Compound Name2-benzamido-N-(3-imidazol-1-ylpropyl)benzamide
PubChem CID662097
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name2-benzamido-N-(3-imidazol-1-ylpropyl)benzamide
SMILESO=C(Nc1ccccc1C(=O)NCCCn1ccnc1)c1ccccc1
InChIInChI=1S/C20H20N4O2/c25-19(16-7-2-1-3-8-16)23-18-10-5-4-9-17(18)20(26)22-11-6-13-24-14-12-21-15-24/h1-5,7-10,12,14-15H,6,11,13H2,(H,22,26)(H,23,25)
InChIKeyBYSMOZXJNKBUAF-UHFFFAOYSA-N
XLogP2.96
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-benzamido-N-(3-imidazol-1-ylpropyl)benzamide?
The IUPAC name of 2-benzamido-N-(3-imidazol-1-ylpropyl)benzamide (CID 662097) is 2-benzamido-N-(3-imidazol-1-ylpropyl)benzamide.
What is the SMILES notation for 2-benzamido-N-(3-imidazol-1-ylpropyl)benzamide?
The canonical SMILES for 2-benzamido-N-(3-imidazol-1-ylpropyl)benzamide is O=C(Nc1ccccc1C(=O)NCCCn1ccnc1)c1ccccc1.
What is the InChIKey of 2-benzamido-N-(3-imidazol-1-ylpropyl)benzamide?
The InChIKey is BYSMOZXJNKBUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c25-19(16-7-2-1-3-8-16)23-18-10-5-4-9-17(18)20(26)22-11-6-13-24-14-12-21-15-24/h1-5,7-10,12,14-15H,6,11,13H2,(H,22,26)(H,23,25).
What are the key properties of 2-benzamido-N-(3-imidazol-1-ylpropyl)benzamide?
2-benzamido-N-(3-imidazol-1-ylpropyl)benzamide has a molecular weight of 348.41 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-N-(3-imidazol-1-ylpropyl)benzamide is sourced from PubChem (CID 662097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).