2-(2,4-dibromophenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide

C13H13Br2N3O2 — CID 63940996

IUPAC2-(2,4-dibromophenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide
SMILESCN(Cc1ncc[nH]1)C(=O)COc1ccc(Br)cc1Br
InChIInChI=1S/C13H13Br2N3O2/c1-18(7-12-16-4-5-17-12)13(19)8-20-11-3-2-9(14)6-10(11)15/h2-6H,7-8H2,1H3,(H,16,17)
InChIKeyOBIVEHBHBGJHSJ-UHFFFAOYSA-N
MW403.07 g/mol
LogP2.97
Rot. Bonds5

About 2-(2,4-dibromophenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide

2-(2,4-dibromophenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide (PubChem CID 63940996) has the molecular formula C13H13Br2N3O2 and a molecular weight of 403.07 g/mol. Its IUPAC name is 2-(2,4-dibromophenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(2,4-dibromophenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide
PubChem CID63940996
Molecular FormulaC13H13Br2N3O2
Molecular Weight403.07 g/mol
Exact Mass400.94
IUPAC Name2-(2,4-dibromophenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide
SMILESCN(Cc1ncc[nH]1)C(=O)COc1ccc(Br)cc1Br
InChIInChI=1S/C13H13Br2N3O2/c1-18(7-12-16-4-5-17-12)13(19)8-20-11-3-2-9(14)6-10(11)15/h2-6H,7-8H2,1H3,(H,16,17)
InChIKeyOBIVEHBHBGJHSJ-UHFFFAOYSA-N
XLogP2.97
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.07
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(2,4-dibromophenoxy)acetyl]-methylamino]butanoic acid
CID 43092375
N-benzyl-2-(2,4-dibromophenoxy)-N-methylacetamide
CID 2632781
2-(4-aminophenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide
CID 64512909
4-bromo-2-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide
CID 63940212
2-(4-bromo-2-fluorophenoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 64511647
2-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide
CID 64511880
2-(2,4-dibromophenoxy)-N,N-bis(2-hydroxyethyl)acetamide
CID 60655130
N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(3-nitrophenoxy)acetamide
CID 63929130
3-(2,5-dimethylphenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylpropanamide
CID 63939271
4,5-dibromo-N-(1H-imidazol-2-ylmethyl)-N-methylthiophene-2-carboxamide
CID 63928272
3-bromo-N-(1H-imidazol-2-ylmethyl)-N-methylthiophene-2-carboxamide
CID 63931220
3-amino-4-ethoxy-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide
CID 64512332

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromophenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide?
The IUPAC name of 2-(2,4-dibromophenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide (CID 63940996) is 2-(2,4-dibromophenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide.
What is the SMILES notation for 2-(2,4-dibromophenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide?
The canonical SMILES for 2-(2,4-dibromophenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide is CN(Cc1ncc[nH]1)C(=O)COc1ccc(Br)cc1Br.
What is the InChIKey of 2-(2,4-dibromophenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide?
The InChIKey is OBIVEHBHBGJHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Br2N3O2/c1-18(7-12-16-4-5-17-12)13(19)8-20-11-3-2-9(14)6-10(11)15/h2-6H,7-8H2,1H3,(H,16,17).
What are the key properties of 2-(2,4-dibromophenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide?
2-(2,4-dibromophenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide has a molecular weight of 403.07 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dibromophenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide is sourced from PubChem (CID 63940996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).