3-[[5-(4-bromophenoxy)imidazol-1-yl]methyl]-1-phenylpyridin-2-one

C21H16BrN3O2 — CID 67613512

IUPAC3-[[5-(4-bromophenoxy)imidazol-1-yl]methyl]-1-phenylpyridin-2-one
SMILESO=c1c(Cn2cncc2Oc2ccc(Br)cc2)cccn1-c1ccccc1
InChIInChI=1S/C21H16BrN3O2/c22-17-8-10-19(11-9-17)27-20-13-23-15-24(20)14-16-5-4-12-25(21(16)26)18-6-2-1-3-7-18/h1-13,15H,14H2
InChIKeyRBAGTGLLJMZFCD-UHFFFAOYSA-N
MW422.28 g/mol
LogP4.64
Rot. Bonds5

About 3-[[5-(4-bromophenoxy)imidazol-1-yl]methyl]-1-phenylpyridin-2-one

3-[[5-(4-bromophenoxy)imidazol-1-yl]methyl]-1-phenylpyridin-2-one (PubChem CID 67613512) has the molecular formula C21H16BrN3O2 and a molecular weight of 422.28 g/mol. Its IUPAC name is 3-[[5-(4-bromophenoxy)imidazol-1-yl]methyl]-1-phenylpyridin-2-one.

Molecular Properties

Compound Name3-[[5-(4-bromophenoxy)imidazol-1-yl]methyl]-1-phenylpyridin-2-one
PubChem CID67613512
Molecular FormulaC21H16BrN3O2
Molecular Weight422.28 g/mol
Exact Mass421.04
IUPAC Name3-[[5-(4-bromophenoxy)imidazol-1-yl]methyl]-1-phenylpyridin-2-one
SMILESO=c1c(Cn2cncc2Oc2ccc(Br)cc2)cccn1-c1ccccc1
InChIInChI=1S/C21H16BrN3O2/c22-17-8-10-19(11-9-17)27-20-13-23-15-24(20)14-16-5-4-12-25(21(16)26)18-6-2-1-3-7-18/h1-13,15H,14H2
InChIKeyRBAGTGLLJMZFCD-UHFFFAOYSA-N
XLogP4.64
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.28
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(4-bromophenoxy)imidazol-1-yl]methyl]-1-phenylpyridin-2-one?
The IUPAC name of 3-[[5-(4-bromophenoxy)imidazol-1-yl]methyl]-1-phenylpyridin-2-one (CID 67613512) is 3-[[5-(4-bromophenoxy)imidazol-1-yl]methyl]-1-phenylpyridin-2-one.
What is the SMILES notation for 3-[[5-(4-bromophenoxy)imidazol-1-yl]methyl]-1-phenylpyridin-2-one?
The canonical SMILES for 3-[[5-(4-bromophenoxy)imidazol-1-yl]methyl]-1-phenylpyridin-2-one is O=c1c(Cn2cncc2Oc2ccc(Br)cc2)cccn1-c1ccccc1.
What is the InChIKey of 3-[[5-(4-bromophenoxy)imidazol-1-yl]methyl]-1-phenylpyridin-2-one?
The InChIKey is RBAGTGLLJMZFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16BrN3O2/c22-17-8-10-19(11-9-17)27-20-13-23-15-24(20)14-16-5-4-12-25(21(16)26)18-6-2-1-3-7-18/h1-13,15H,14H2.
What are the key properties of 3-[[5-(4-bromophenoxy)imidazol-1-yl]methyl]-1-phenylpyridin-2-one?
3-[[5-(4-bromophenoxy)imidazol-1-yl]methyl]-1-phenylpyridin-2-one has a molecular weight of 422.28 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(4-bromophenoxy)imidazol-1-yl]methyl]-1-phenylpyridin-2-one is sourced from PubChem (CID 67613512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).