N-[5-bromo-4-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]acetamide

C11H11BrN4O — CID 135223176

IUPACN-[5-bromo-4-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(-c2cccc(C)n2)c(Br)[nH]1
InChIInChI=1S/C11H11BrN4O/c1-6-4-3-5-8(13-6)9-10(12)16-11(15-9)14-7(2)17/h3-5H,1-2H3,(H2,14,15,16,17)
InChIKeyYNQWCMHLEZVVOM-UHFFFAOYSA-N
MW295.14 g/mol
LogP2.50
Rot. Bonds2

About N-[5-bromo-4-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]acetamide

N-[5-bromo-4-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]acetamide (PubChem CID 135223176) has the molecular formula C11H11BrN4O and a molecular weight of 295.14 g/mol. Its IUPAC name is N-[5-bromo-4-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-bromo-4-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]acetamide
PubChem CID135223176
Molecular FormulaC11H11BrN4O
Molecular Weight295.14 g/mol
Exact Mass294.01
IUPAC NameN-[5-bromo-4-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(-c2cccc(C)n2)c(Br)[nH]1
InChIInChI=1S/C11H11BrN4O/c1-6-4-3-5-8(13-6)9-10(12)16-11(15-9)14-7(2)17/h3-5H,1-2H3,(H2,14,15,16,17)
InChIKeyYNQWCMHLEZVVOM-UHFFFAOYSA-N
XLogP2.50
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-bromo-4-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]acetamide?
The IUPAC name of N-[5-bromo-4-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]acetamide (CID 135223176) is N-[5-bromo-4-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]acetamide.
What is the SMILES notation for N-[5-bromo-4-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]acetamide?
The canonical SMILES for N-[5-bromo-4-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]acetamide is CC(=O)Nc1nc(-c2cccc(C)n2)c(Br)[nH]1.
What is the InChIKey of N-[5-bromo-4-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]acetamide?
The InChIKey is YNQWCMHLEZVVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O/c1-6-4-3-5-8(13-6)9-10(12)16-11(15-9)14-7(2)17/h3-5H,1-2H3,(H2,14,15,16,17).
What are the key properties of N-[5-bromo-4-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]acetamide?
N-[5-bromo-4-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]acetamide has a molecular weight of 295.14 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-bromo-4-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]acetamide is sourced from PubChem (CID 135223176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).