4-imidazol-1-ylbenzamide

C10H9N3O — CID 2768493

IUPAC4-imidazol-1-ylbenzamide
SMILESNC(=O)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C10H9N3O/c11-10(14)8-1-3-9(4-2-8)13-6-5-12-7-13/h1-7H,(H2,11,14)
InChIKeyVEKNMVRNEBNHNU-UHFFFAOYSA-N
MW187.20 g/mol
LogP0.97
Rot. Bonds2

About 4-imidazol-1-ylbenzamide

4-imidazol-1-ylbenzamide (PubChem CID 2768493) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is 4-imidazol-1-ylbenzamide.

Molecular Properties

Compound Name4-imidazol-1-ylbenzamide
PubChem CID2768493
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC Name4-imidazol-1-ylbenzamide
SMILESNC(=O)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C10H9N3O/c11-10(14)8-1-3-9(4-2-8)13-6-5-12-7-13/h1-7H,(H2,11,14)
InChIKeyVEKNMVRNEBNHNU-UHFFFAOYSA-N
XLogP0.97
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-ylbenzamide?
The IUPAC name of 4-imidazol-1-ylbenzamide (CID 2768493) is 4-imidazol-1-ylbenzamide.
What is the SMILES notation for 4-imidazol-1-ylbenzamide?
The canonical SMILES for 4-imidazol-1-ylbenzamide is NC(=O)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of 4-imidazol-1-ylbenzamide?
The InChIKey is VEKNMVRNEBNHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O/c11-10(14)8-1-3-9(4-2-8)13-6-5-12-7-13/h1-7H,(H2,11,14).
What are the key properties of 4-imidazol-1-ylbenzamide?
4-imidazol-1-ylbenzamide has a molecular weight of 187.20 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-ylbenzamide is sourced from PubChem (CID 2768493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).