N-[5-(4-bromophenyl)-1-methylimidazol-2-yl]acetamide

C12H12BrN3O — CID 3894964

IUPACN-[5-(4-bromophenyl)-1-methylimidazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(-c2ccc(Br)cc2)n1C
InChIInChI=1S/C12H12BrN3O/c1-8(17)15-12-14-7-11(16(12)2)9-3-5-10(13)6-4-9/h3-7H,1-2H3,(H,14,15,17)
InChIKeyGPKPOJMUJUEQJH-UHFFFAOYSA-N
MW294.15 g/mol
LogP2.81
Rot. Bonds2

About N-[5-(4-bromophenyl)-1-methylimidazol-2-yl]acetamide

N-[5-(4-bromophenyl)-1-methylimidazol-2-yl]acetamide (PubChem CID 3894964) has the molecular formula C12H12BrN3O and a molecular weight of 294.15 g/mol. Its IUPAC name is N-[5-(4-bromophenyl)-1-methylimidazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(4-bromophenyl)-1-methylimidazol-2-yl]acetamide
PubChem CID3894964
Molecular FormulaC12H12BrN3O
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC NameN-[5-(4-bromophenyl)-1-methylimidazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(-c2ccc(Br)cc2)n1C
InChIInChI=1S/C12H12BrN3O/c1-8(17)15-12-14-7-11(16(12)2)9-3-5-10(13)6-4-9/h3-7H,1-2H3,(H,14,15,17)
InChIKeyGPKPOJMUJUEQJH-UHFFFAOYSA-N
XLogP2.81
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-bromophenyl)-1-methylimidazol-2-yl]acetamide?
The IUPAC name of N-[5-(4-bromophenyl)-1-methylimidazol-2-yl]acetamide (CID 3894964) is N-[5-(4-bromophenyl)-1-methylimidazol-2-yl]acetamide.
What is the SMILES notation for N-[5-(4-bromophenyl)-1-methylimidazol-2-yl]acetamide?
The canonical SMILES for N-[5-(4-bromophenyl)-1-methylimidazol-2-yl]acetamide is CC(=O)Nc1ncc(-c2ccc(Br)cc2)n1C.
What is the InChIKey of N-[5-(4-bromophenyl)-1-methylimidazol-2-yl]acetamide?
The InChIKey is GPKPOJMUJUEQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O/c1-8(17)15-12-14-7-11(16(12)2)9-3-5-10(13)6-4-9/h3-7H,1-2H3,(H,14,15,17).
What are the key properties of N-[5-(4-bromophenyl)-1-methylimidazol-2-yl]acetamide?
N-[5-(4-bromophenyl)-1-methylimidazol-2-yl]acetamide has a molecular weight of 294.15 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-bromophenyl)-1-methylimidazol-2-yl]acetamide is sourced from PubChem (CID 3894964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).