2-(5-bromo-2-oxo-1-pyridinyl)-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]acetamide

C14H14BrF3N4O2 — CID 56509179

IUPAC2-(5-bromo-2-oxo-1-pyridinyl)-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]acetamide
SMILESCN(Cc1nccn1CC(F)(F)F)C(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C14H14BrF3N4O2/c1-20(7-11-19-4-5-21(11)9-14(16,17)18)13(24)8-22-6-10(15)2-3-12(22)23/h2-6H,7-9H2,1H3
InChIKeyFICAOJQQJBDDPK-UHFFFAOYSA-N
MW407.19 g/mol
LogP2.03
Rot. Bonds5

About 2-(5-bromo-2-oxo-1-pyridinyl)-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]acetamide

2-(5-bromo-2-oxo-1-pyridinyl)-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]acetamide (PubChem CID 56509179) has the molecular formula C14H14BrF3N4O2 and a molecular weight of 407.19 g/mol. Its IUPAC name is 2-(5-bromo-2-oxo-1-pyridinyl)-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(5-bromo-2-oxo-1-pyridinyl)-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]acetamide
PubChem CID56509179
Molecular FormulaC14H14BrF3N4O2
Molecular Weight407.19 g/mol
Exact Mass406.03
IUPAC Name2-(5-bromo-2-oxo-1-pyridinyl)-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]acetamide
SMILESCN(Cc1nccn1CC(F)(F)F)C(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C14H14BrF3N4O2/c1-20(7-11-19-4-5-21(11)9-14(16,17)18)13(24)8-22-6-10(15)2-3-12(22)23/h2-6H,7-9H2,1H3
InChIKeyFICAOJQQJBDDPK-UHFFFAOYSA-N
XLogP2.03
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.19
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]acetamide?
The IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]acetamide (CID 56509179) is 2-(5-bromo-2-oxo-1-pyridinyl)-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(5-bromo-2-oxo-1-pyridinyl)-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]acetamide?
The canonical SMILES for 2-(5-bromo-2-oxo-1-pyridinyl)-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]acetamide is CN(Cc1nccn1CC(F)(F)F)C(=O)Cn1cc(Br)ccc1=O.
What is the InChIKey of 2-(5-bromo-2-oxo-1-pyridinyl)-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]acetamide?
The InChIKey is FICAOJQQJBDDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrF3N4O2/c1-20(7-11-19-4-5-21(11)9-14(16,17)18)13(24)8-22-6-10(15)2-3-12(22)23/h2-6H,7-9H2,1H3.
What are the key properties of 2-(5-bromo-2-oxo-1-pyridinyl)-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]acetamide?
2-(5-bromo-2-oxo-1-pyridinyl)-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]acetamide has a molecular weight of 407.19 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-oxo-1-pyridinyl)-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]acetamide is sourced from PubChem (CID 56509179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).