2-(4-bromophenoxy)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide

C18H16BrN3O2 — CID 52770659

IUPAC2-(4-bromophenoxy)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
SMILESO=C(COc1ccc(Br)cc1)NCc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C18H16BrN3O2/c19-15-3-7-17(8-4-15)24-12-18(23)21-11-14-1-5-16(6-2-14)22-10-9-20-13-22/h1-10,13H,11-12H2,(H,21,23)
InChIKeyLPLVWHNDMCFERJ-UHFFFAOYSA-N
MW386.25 g/mol
LogP3.33
Rot. Bonds6

About 2-(4-bromophenoxy)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide

2-(4-bromophenoxy)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide (PubChem CID 52770659) has the molecular formula C18H16BrN3O2 and a molecular weight of 386.25 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
PubChem CID52770659
Molecular FormulaC18H16BrN3O2
Molecular Weight386.25 g/mol
Exact Mass385.04
IUPAC Name2-(4-bromophenoxy)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
SMILESO=C(COc1ccc(Br)cc1)NCc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C18H16BrN3O2/c19-15-3-7-17(8-4-15)24-12-18(23)21-11-14-1-5-16(6-2-14)22-10-9-20-13-22/h1-10,13H,11-12H2,(H,21,23)
InChIKeyLPLVWHNDMCFERJ-UHFFFAOYSA-N
XLogP3.33
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromophenoxy)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide
CID 55732144
2-(2-bromo-4-ethylphenoxy)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 30393490
N-[(4-bromophenyl)methyl]-1-(4-imidazol-1-ylphenyl)methanamine
CID 60781344
2-(3-bromophenyl)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 99609547
4-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]benzamide
CID 31533303
N-[(4-imidazol-1-ylphenyl)methyl]-2-pyridin-3-ylacetamide
CID 53159084
N-[(4-imidazol-1-ylphenyl)methyl]-5-methoxypentanamide
CID 86872246
2-(2-fluorophenyl)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 50847572
N-(3,5-dimethoxyphenyl)-2-(4-imidazol-1-ylphenoxy)acetamide
CID 4881019
2-(4-imidazol-1-ylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 11545014
1-[4-[(4-imidazol-1-ylphenoxy)methyl]phenyl]imidazole
CID 132544165
2-(4-bromophenoxy)-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide
CID 55748360

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide (CID 52770659) is 2-(4-bromophenoxy)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide is O=C(COc1ccc(Br)cc1)NCc1ccc(-n2ccnc2)cc1.
What is the InChIKey of 2-(4-bromophenoxy)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide?
The InChIKey is LPLVWHNDMCFERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O2/c19-15-3-7-17(8-4-15)24-12-18(23)21-11-14-1-5-16(6-2-14)22-10-9-20-13-22/h1-10,13H,11-12H2,(H,21,23).
What are the key properties of 2-(4-bromophenoxy)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide?
2-(4-bromophenoxy)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide has a molecular weight of 386.25 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide is sourced from PubChem (CID 52770659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).