5-bromo-2-hydroxy-N-(2-imidazol-1-ylethyl)benzamide

C12H12BrN3O2 — CID 47099001

IUPAC5-bromo-2-hydroxy-N-(2-imidazol-1-ylethyl)benzamide
SMILESO=C(NCCn1ccnc1)c1cc(Br)ccc1O
InChIInChI=1S/C12H12BrN3O2/c13-9-1-2-11(17)10(7-9)12(18)15-4-6-16-5-3-14-8-16/h1-3,5,7-8,17H,4,6H2,(H,15,18)
InChIKeyUDXAYIAJSVRBAG-UHFFFAOYSA-N
MW310.15 g/mol
LogP1.78
Rot. Bonds4

About 5-bromo-2-hydroxy-N-(2-imidazol-1-ylethyl)benzamide

5-bromo-2-hydroxy-N-(2-imidazol-1-ylethyl)benzamide (PubChem CID 47099001) has the molecular formula C12H12BrN3O2 and a molecular weight of 310.15 g/mol. Its IUPAC name is 5-bromo-2-hydroxy-N-(2-imidazol-1-ylethyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-hydroxy-N-(2-imidazol-1-ylethyl)benzamide
PubChem CID47099001
Molecular FormulaC12H12BrN3O2
Molecular Weight310.15 g/mol
Exact Mass309.01
IUPAC Name5-bromo-2-hydroxy-N-(2-imidazol-1-ylethyl)benzamide
SMILESO=C(NCCn1ccnc1)c1cc(Br)ccc1O
InChIInChI=1S/C12H12BrN3O2/c13-9-1-2-11(17)10(7-9)12(18)15-4-6-16-5-3-14-8-16/h1-3,5,7-8,17H,4,6H2,(H,15,18)
InChIKeyUDXAYIAJSVRBAG-UHFFFAOYSA-N
XLogP1.78
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.15
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-chloro-N-(3-imidazol-1-ylpropyl)benzamide
CID 2970837
5-bromo-N-(3-imidazol-1-ylpropyl)-2-methylbenzamide
CID 65307454
5-amino-2-hydroxy-N-(3-imidazol-1-ylpropyl)benzamide
CID 89368560
3,5-dibromo-N-(2-imidazol-1-ylethyl)benzamide
CID 103907789
5-bromo-N-(2-imidazol-1-ylethyl)-2-(methylamino)pyridine-3-carboxamide
CID 62176435
2-hydroxy-5-(2-imidazol-1-ylethylcarbamoylamino)benzoic acid
CID 61461800
5-amino-N-(2-imidazol-1-ylethyl)-2,4-dimethylbenzamide
CID 102705336
N-(2-imidazol-1-ylethyl)-2-(methylamino)benzamide
CID 61375960
3-fluoro-N-(2-imidazol-1-ylethyl)pyridine-4-carboxamide
CID 115645510
6-bromo-N-(2-imidazol-1-ylethyl)pyridine-2-carboxamide
CID 103889552
4-bromo-N-(2-imidazol-1-ylethyl)-3-methylbenzamide
CID 112705775
5-bromo-2-hydroxy-N-(2-morpholin-4-ylethyl)benzamide
CID 47100697

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydroxy-N-(2-imidazol-1-ylethyl)benzamide?
The IUPAC name of 5-bromo-2-hydroxy-N-(2-imidazol-1-ylethyl)benzamide (CID 47099001) is 5-bromo-2-hydroxy-N-(2-imidazol-1-ylethyl)benzamide.
What is the SMILES notation for 5-bromo-2-hydroxy-N-(2-imidazol-1-ylethyl)benzamide?
The canonical SMILES for 5-bromo-2-hydroxy-N-(2-imidazol-1-ylethyl)benzamide is O=C(NCCn1ccnc1)c1cc(Br)ccc1O.
What is the InChIKey of 5-bromo-2-hydroxy-N-(2-imidazol-1-ylethyl)benzamide?
The InChIKey is UDXAYIAJSVRBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O2/c13-9-1-2-11(17)10(7-9)12(18)15-4-6-16-5-3-14-8-16/h1-3,5,7-8,17H,4,6H2,(H,15,18).
What are the key properties of 5-bromo-2-hydroxy-N-(2-imidazol-1-ylethyl)benzamide?
5-bromo-2-hydroxy-N-(2-imidazol-1-ylethyl)benzamide has a molecular weight of 310.15 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydroxy-N-(2-imidazol-1-ylethyl)benzamide is sourced from PubChem (CID 47099001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).