2-(1H-imidazol-2-yl)benzamide;hydrate

C10H11N3O2 — CID 140783933

IUPAC2-(1H-imidazol-2-yl)benzamide;hydrate
SMILESNC(=O)c1ccccc1-c1ncc[nH]1.O
InChIInChI=1S/C10H9N3O.H2O/c11-9(14)7-3-1-2-4-8(7)10-12-5-6-13-10;/h1-6H,(H2,11,14)(H,12,13);1H2
InChIKeyJJNSQUBKRKWNSO-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.35
Rot. Bonds2

About 2-(1H-imidazol-2-yl)benzamide;hydrate

2-(1H-imidazol-2-yl)benzamide;hydrate (PubChem CID 140783933) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 2-(1H-imidazol-2-yl)benzamide;hydrate.

Molecular Properties

Compound Name2-(1H-imidazol-2-yl)benzamide;hydrate
PubChem CID140783933
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name2-(1H-imidazol-2-yl)benzamide;hydrate
SMILESNC(=O)c1ccccc1-c1ncc[nH]1.O
InChIInChI=1S/C10H9N3O.H2O/c11-9(14)7-3-1-2-4-8(7)10-12-5-6-13-10;/h1-6H,(H2,11,14)(H,12,13);1H2
InChIKeyJJNSQUBKRKWNSO-UHFFFAOYSA-N
XLogP0.35
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-yl)benzamide;hydrate?
The IUPAC name of 2-(1H-imidazol-2-yl)benzamide;hydrate (CID 140783933) is 2-(1H-imidazol-2-yl)benzamide;hydrate.
What is the SMILES notation for 2-(1H-imidazol-2-yl)benzamide;hydrate?
The canonical SMILES for 2-(1H-imidazol-2-yl)benzamide;hydrate is NC(=O)c1ccccc1-c1ncc[nH]1.O.
What is the InChIKey of 2-(1H-imidazol-2-yl)benzamide;hydrate?
The InChIKey is JJNSQUBKRKWNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O.H2O/c11-9(14)7-3-1-2-4-8(7)10-12-5-6-13-10;/h1-6H,(H2,11,14)(H,12,13);1H2.
What are the key properties of 2-(1H-imidazol-2-yl)benzamide;hydrate?
2-(1H-imidazol-2-yl)benzamide;hydrate has a molecular weight of 205.22 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-yl)benzamide;hydrate is sourced from PubChem (CID 140783933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).