4-(benzimidazol-1-yl)-N-(2,4-dioxoimidazolidin-1-yl)benzamide

C17H13N5O3 — CID 25348109

IUPAC4-(benzimidazol-1-yl)-N-(2,4-dioxoimidazolidin-1-yl)benzamide
SMILESO=C1CN(NC(=O)c2ccc(-n3cnc4ccccc43)cc2)C(=O)N1
InChIInChI=1S/C17H13N5O3/c23-15-9-22(17(25)19-15)20-16(24)11-5-7-12(8-6-11)21-10-18-13-3-1-2-4-14(13)21/h1-8,10H,9H2,(H,20,24)(H,19,23,25)
InChIKeyACZWYUWXUFLXJK-UHFFFAOYSA-N
MW335.32 g/mol
LogP1.22
Rot. Bonds3

About 4-(benzimidazol-1-yl)-N-(2,4-dioxoimidazolidin-1-yl)benzamide

4-(benzimidazol-1-yl)-N-(2,4-dioxoimidazolidin-1-yl)benzamide (PubChem CID 25348109) has the molecular formula C17H13N5O3 and a molecular weight of 335.32 g/mol. Its IUPAC name is 4-(benzimidazol-1-yl)-N-(2,4-dioxoimidazolidin-1-yl)benzamide.

Molecular Properties

Compound Name4-(benzimidazol-1-yl)-N-(2,4-dioxoimidazolidin-1-yl)benzamide
PubChem CID25348109
Molecular FormulaC17H13N5O3
Molecular Weight335.32 g/mol
Exact Mass335.10
IUPAC Name4-(benzimidazol-1-yl)-N-(2,4-dioxoimidazolidin-1-yl)benzamide
SMILESO=C1CN(NC(=O)c2ccc(-n3cnc4ccccc43)cc2)C(=O)N1
InChIInChI=1S/C17H13N5O3/c23-15-9-22(17(25)19-15)20-16(24)11-5-7-12(8-6-11)21-10-18-13-3-1-2-4-14(13)21/h1-8,10H,9H2,(H,20,24)(H,19,23,25)
InChIKeyACZWYUWXUFLXJK-UHFFFAOYSA-N
XLogP1.22
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.32
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-yl)-N-(2,4-dioxoimidazolidin-1-yl)benzamide?
The IUPAC name of 4-(benzimidazol-1-yl)-N-(2,4-dioxoimidazolidin-1-yl)benzamide (CID 25348109) is 4-(benzimidazol-1-yl)-N-(2,4-dioxoimidazolidin-1-yl)benzamide.
What is the SMILES notation for 4-(benzimidazol-1-yl)-N-(2,4-dioxoimidazolidin-1-yl)benzamide?
The canonical SMILES for 4-(benzimidazol-1-yl)-N-(2,4-dioxoimidazolidin-1-yl)benzamide is O=C1CN(NC(=O)c2ccc(-n3cnc4ccccc43)cc2)C(=O)N1.
What is the InChIKey of 4-(benzimidazol-1-yl)-N-(2,4-dioxoimidazolidin-1-yl)benzamide?
The InChIKey is ACZWYUWXUFLXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O3/c23-15-9-22(17(25)19-15)20-16(24)11-5-7-12(8-6-11)21-10-18-13-3-1-2-4-14(13)21/h1-8,10H,9H2,(H,20,24)(H,19,23,25).
What are the key properties of 4-(benzimidazol-1-yl)-N-(2,4-dioxoimidazolidin-1-yl)benzamide?
4-(benzimidazol-1-yl)-N-(2,4-dioxoimidazolidin-1-yl)benzamide has a molecular weight of 335.32 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazol-1-yl)-N-(2,4-dioxoimidazolidin-1-yl)benzamide is sourced from PubChem (CID 25348109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).