N-[2-(4-bromophenyl)ethyl]-2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)acetamide

C13H14BrN3O3 — CID 90809590

IUPACN-[2-(4-bromophenyl)ethyl]-2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)acetamide
SMILESO=C(Cc1[nH]c(=O)[nH]c1O)NCCc1ccc(Br)cc1
InChIInChI=1S/C13H14BrN3O3/c14-9-3-1-8(2-4-9)5-6-15-11(18)7-10-12(19)17-13(20)16-10/h1-4,19H,5-7H2,(H,15,18)(H2,16,17,20)
InChIKeyWJHIDDYVFPXHFK-UHFFFAOYSA-N
MW340.18 g/mol
LogP1.07
Rot. Bonds5

About N-[2-(4-bromophenyl)ethyl]-2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)acetamide

N-[2-(4-bromophenyl)ethyl]-2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)acetamide (PubChem CID 90809590) has the molecular formula C13H14BrN3O3 and a molecular weight of 340.18 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)ethyl]-2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)ethyl]-2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)acetamide
PubChem CID90809590
Molecular FormulaC13H14BrN3O3
Molecular Weight340.18 g/mol
Exact Mass339.02
IUPAC NameN-[2-(4-bromophenyl)ethyl]-2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)acetamide
SMILESO=C(Cc1[nH]c(=O)[nH]c1O)NCCc1ccc(Br)cc1
InChIInChI=1S/C13H14BrN3O3/c14-9-3-1-8(2-4-9)5-6-15-11(18)7-10-12(19)17-13(20)16-10/h1-4,19H,5-7H2,(H,15,18)(H2,16,17,20)
InChIKeyWJHIDDYVFPXHFK-UHFFFAOYSA-N
XLogP1.07
TPSA97.98 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.18
LogP ≤ 51.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)ethyl]-2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)acetamide?
The IUPAC name of N-[2-(4-bromophenyl)ethyl]-2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)acetamide (CID 90809590) is N-[2-(4-bromophenyl)ethyl]-2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)acetamide.
What is the SMILES notation for N-[2-(4-bromophenyl)ethyl]-2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)acetamide?
The canonical SMILES for N-[2-(4-bromophenyl)ethyl]-2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)acetamide is O=C(Cc1[nH]c(=O)[nH]c1O)NCCc1ccc(Br)cc1.
What is the InChIKey of N-[2-(4-bromophenyl)ethyl]-2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)acetamide?
The InChIKey is WJHIDDYVFPXHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O3/c14-9-3-1-8(2-4-9)5-6-15-11(18)7-10-12(19)17-13(20)16-10/h1-4,19H,5-7H2,(H,15,18)(H2,16,17,20).
What are the key properties of N-[2-(4-bromophenyl)ethyl]-2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)acetamide?
N-[2-(4-bromophenyl)ethyl]-2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)acetamide has a molecular weight of 340.18 g/mol, XLogP of 1.07, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)ethyl]-2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)acetamide is sourced from PubChem (CID 90809590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).