5-bromo-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]furan-3-carboxamide

C12H11BrF3N3O2 — CID 56509575

IUPAC5-bromo-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]furan-3-carboxamide
SMILESCN(Cc1nccn1CC(F)(F)F)C(=O)c1coc(Br)c1
InChIInChI=1S/C12H11BrF3N3O2/c1-18(11(20)8-4-9(13)21-6-8)5-10-17-2-3-19(10)7-12(14,15)16/h2-4,6H,5,7H2,1H3
InChIKeyTZHKDUNESVQLEY-UHFFFAOYSA-N
MW366.14 g/mol
LogP3.07
Rot. Bonds4

About 5-bromo-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]furan-3-carboxamide

5-bromo-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]furan-3-carboxamide (PubChem CID 56509575) has the molecular formula C12H11BrF3N3O2 and a molecular weight of 366.14 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]furan-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]furan-3-carboxamide
PubChem CID56509575
Molecular FormulaC12H11BrF3N3O2
Molecular Weight366.14 g/mol
Exact Mass365.00
IUPAC Name5-bromo-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]furan-3-carboxamide
SMILESCN(Cc1nccn1CC(F)(F)F)C(=O)c1coc(Br)c1
InChIInChI=1S/C12H11BrF3N3O2/c1-18(11(20)8-4-9(13)21-6-8)5-10-17-2-3-19(10)7-12(14,15)16/h2-4,6H,5,7H2,1H3
InChIKeyTZHKDUNESVQLEY-UHFFFAOYSA-N
XLogP3.07
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.14
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]furan-3-carboxamide?
The IUPAC name of 5-bromo-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]furan-3-carboxamide (CID 56509575) is 5-bromo-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]furan-3-carboxamide.
What is the SMILES notation for 5-bromo-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]furan-3-carboxamide?
The canonical SMILES for 5-bromo-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]furan-3-carboxamide is CN(Cc1nccn1CC(F)(F)F)C(=O)c1coc(Br)c1.
What is the InChIKey of 5-bromo-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]furan-3-carboxamide?
The InChIKey is TZHKDUNESVQLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrF3N3O2/c1-18(11(20)8-4-9(13)21-6-8)5-10-17-2-3-19(10)7-12(14,15)16/h2-4,6H,5,7H2,1H3.
What are the key properties of 5-bromo-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]furan-3-carboxamide?
5-bromo-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]furan-3-carboxamide has a molecular weight of 366.14 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]furan-3-carboxamide is sourced from PubChem (CID 56509575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).