2-(2-bromo-4-methylphenoxy)-N-(1H-imidazol-2-yl)acetamide

C12H12BrN3O2 — CID 55027884

IUPAC2-(2-bromo-4-methylphenoxy)-N-(1H-imidazol-2-yl)acetamide
SMILESCc1ccc(OCC(=O)Nc2ncc[nH]2)c(Br)c1
InChIInChI=1S/C12H12BrN3O2/c1-8-2-3-10(9(13)6-8)18-7-11(17)16-12-14-4-5-15-12/h2-6H,7H2,1H3,(H2,14,15,16,17)
InChIKeyWFAHAGKIUBAIPR-UHFFFAOYSA-N
MW310.15 g/mol
LogP2.50
Rot. Bonds4

About 2-(2-bromo-4-methylphenoxy)-N-(1H-imidazol-2-yl)acetamide

2-(2-bromo-4-methylphenoxy)-N-(1H-imidazol-2-yl)acetamide (PubChem CID 55027884) has the molecular formula C12H12BrN3O2 and a molecular weight of 310.15 g/mol. Its IUPAC name is 2-(2-bromo-4-methylphenoxy)-N-(1H-imidazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-methylphenoxy)-N-(1H-imidazol-2-yl)acetamide
PubChem CID55027884
Molecular FormulaC12H12BrN3O2
Molecular Weight310.15 g/mol
Exact Mass309.01
IUPAC Name2-(2-bromo-4-methylphenoxy)-N-(1H-imidazol-2-yl)acetamide
SMILESCc1ccc(OCC(=O)Nc2ncc[nH]2)c(Br)c1
InChIInChI=1S/C12H12BrN3O2/c1-8-2-3-10(9(13)6-8)18-7-11(17)16-12-14-4-5-15-12/h2-6H,7H2,1H3,(H2,14,15,16,17)
InChIKeyWFAHAGKIUBAIPR-UHFFFAOYSA-N
XLogP2.50
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.15
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-4-methylphenoxy)-N'-[2-(2-bromo-4-methylphenoxy)acetyl]acetohydrazide
CID 5089524
2-(2-bromo-4-methylphenoxy)-N-(2-hydroxy-4-methylphenyl)acetamide
CID 9370222
2-(2,4-difluorophenoxy)-N-(1H-imidazol-2-yl)acetamide
CID 60967966
2-(2-hydroxyphenoxy)-N-(1H-imidazol-2-yl)acetamide
CID 63563880
2-(2-bromo-4-methylphenoxy)-N-(3,5-dichlorophenyl)acetamide
CID 1369656
3-(3-bromo-4-methoxyphenyl)-N-(1H-imidazol-2-yl)propanamide
CID 55027759
N-(3-acetamido-2-methylphenyl)-2-(2-bromo-4-methylphenoxy)acetamide
CID 24673628
2-(2-bromo-4-methylphenoxy)-N-(pyridin-4-ylmethyl)acetamide
CID 744767
2-(2-bromo-4-methylphenoxy)-N-(methylcarbamoyl)acetamide
CID 7949226
2-[4-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]phenyl]acetamide
CID 31857859
2-(2-bromo-4-methylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 1363827
2-(2-bromo-4-methylphenoxy)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide
CID 19214317

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-(1H-imidazol-2-yl)acetamide?
The IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-(1H-imidazol-2-yl)acetamide (CID 55027884) is 2-(2-bromo-4-methylphenoxy)-N-(1H-imidazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-bromo-4-methylphenoxy)-N-(1H-imidazol-2-yl)acetamide?
The canonical SMILES for 2-(2-bromo-4-methylphenoxy)-N-(1H-imidazol-2-yl)acetamide is Cc1ccc(OCC(=O)Nc2ncc[nH]2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methylphenoxy)-N-(1H-imidazol-2-yl)acetamide?
The InChIKey is WFAHAGKIUBAIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O2/c1-8-2-3-10(9(13)6-8)18-7-11(17)16-12-14-4-5-15-12/h2-6H,7H2,1H3,(H2,14,15,16,17).
What are the key properties of 2-(2-bromo-4-methylphenoxy)-N-(1H-imidazol-2-yl)acetamide?
2-(2-bromo-4-methylphenoxy)-N-(1H-imidazol-2-yl)acetamide has a molecular weight of 310.15 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methylphenoxy)-N-(1H-imidazol-2-yl)acetamide is sourced from PubChem (CID 55027884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).