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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Related Compounds

2-benzoyl-1H-imidazole
CID 186197
4-(1H-imidazol-2-yl)benzoic Acid
CID 1475901
1H-Imidazol-2-yl(4-methylphenyl)methanone
CID 3661024
(4-((1H-imidazol-2-yl)methyl)piperidin-1-yl)(4'-fluoro-[1,1'-biphenyl]-4-yl)methanone
CID 44138039
(4-((1H-imidazol-2-yl)methyl)piperidin-1-yl)(biphenyl-4-yl)methanone
CID 44565831
N-[3-(1H-imidazol-1-yl)propyl]-3,4-dimethylbenzamide
CID 2862530
1H-imidazol-2-yl[2-(4-morpholinylcarbonyl)phenyl]methanone
CID 2841856
4-ethyl-5-[4-(1H-imidazol-2-yl)benzoyl]-1,3-dihydroimidazol-2-one
CID 13815991
(E)-3-(1H-imidazol-2-yl)-1-(4-iodophenyl)prop-2-en-1-one
CID 44435170
(4-(1H-imidazol-2-yl)piperidin-1-yl)(biphenyl-4-yl)methanone
CID 44565830
(4-(1H-imidazol-2-yl)piperidin-1-yl)(4''-fluorobiphenyl-4-yl)methanone
CID 44565850
2-(difluoromethyl)-5-[(2,2-dimethylpropanoylamino)methyl]-N-(1H-imidazol-2-yl)benzamide
CID 67971063

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).