N-(1H-perimidin-2-yl)benzamide

C18H13N3O — CID 1257244

IUPACN-(1H-perimidin-2-yl)benzamide
SMILESO=C(NC1=Nc2cccc3cccc(c23)N1)c1ccccc1
InChIInChI=1S/C18H13N3O/c22-17(13-6-2-1-3-7-13)21-18-19-14-10-4-8-12-9-5-11-15(20-18)16(12)14/h1-11H,(H2,19,20,21,22)
InChIKeyPJKBIJNPOJPHAR-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.68
Rot. Bonds1

About N-(1H-perimidin-2-yl)benzamide

N-(1H-perimidin-2-yl)benzamide (PubChem CID 1257244) has the molecular formula C18H13N3O and a molecular weight of 287.32 g/mol. Its IUPAC name is N-(1H-perimidin-2-yl)benzamide.

Molecular Properties

Compound NameN-(1H-perimidin-2-yl)benzamide
PubChem CID1257244
Molecular FormulaC18H13N3O
Molecular Weight287.32 g/mol
Exact Mass287.11
IUPAC NameN-(1H-perimidin-2-yl)benzamide
SMILESO=C(NC1=Nc2cccc3cccc(c23)N1)c1ccccc1
InChIInChI=1S/C18H13N3O/c22-17(13-6-2-1-3-7-13)21-18-19-14-10-4-8-12-9-5-11-15(20-18)16(12)14/h1-11H,(H2,19,20,21,22)
InChIKeyPJKBIJNPOJPHAR-UHFFFAOYSA-N
XLogP3.68
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'naphth_amino_A(25)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1H-perimidin-2-yl)benzamide?
The IUPAC name of N-(1H-perimidin-2-yl)benzamide (CID 1257244) is N-(1H-perimidin-2-yl)benzamide.
What is the SMILES notation for N-(1H-perimidin-2-yl)benzamide?
The canonical SMILES for N-(1H-perimidin-2-yl)benzamide is O=C(NC1=Nc2cccc3cccc(c23)N1)c1ccccc1.
What is the InChIKey of N-(1H-perimidin-2-yl)benzamide?
The InChIKey is PJKBIJNPOJPHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O/c22-17(13-6-2-1-3-7-13)21-18-19-14-10-4-8-12-9-5-11-15(20-18)16(12)14/h1-11H,(H2,19,20,21,22).
What are the key properties of N-(1H-perimidin-2-yl)benzamide?
N-(1H-perimidin-2-yl)benzamide has a molecular weight of 287.32 g/mol, XLogP of 3.68, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-perimidin-2-yl)benzamide is sourced from PubChem (CID 1257244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).