5-bromo-6-ethenyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-3-carboxamide

C19H14BrF3N4O — CID 129233338

IUPAC5-bromo-6-ethenyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-3-carboxamide
SMILESC=Cc1ncc(C(=O)Nc2cn(Cc3cccc(C(F)(F)F)c3)cn2)cc1Br
InChIInChI=1S/C19H14BrF3N4O/c1-2-16-15(20)7-13(8-24-16)18(28)26-17-10-27(11-25-17)9-12-4-3-5-14(6-12)19(21,22)23/h2-8,10-11H,1,9H2,(H,26,28)
InChIKeyCBCVYIDVPBRTMB-UHFFFAOYSA-N
MW451.25 g/mol
LogP5.00
Rot. Bonds5

About 5-bromo-6-ethenyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-3-carboxamide

5-bromo-6-ethenyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-3-carboxamide (PubChem CID 129233338) has the molecular formula C19H14BrF3N4O and a molecular weight of 451.25 g/mol. Its IUPAC name is 5-bromo-6-ethenyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-6-ethenyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-3-carboxamide
PubChem CID129233338
Molecular FormulaC19H14BrF3N4O
Molecular Weight451.25 g/mol
Exact Mass450.03
IUPAC Name5-bromo-6-ethenyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-3-carboxamide
SMILESC=Cc1ncc(C(=O)Nc2cn(Cc3cccc(C(F)(F)F)c3)cn2)cc1Br
InChIInChI=1S/C19H14BrF3N4O/c1-2-16-15(20)7-13(8-24-16)18(28)26-17-10-27(11-25-17)9-12-4-3-5-14(6-12)19(21,22)23/h2-8,10-11H,1,9H2,(H,26,28)
InChIKeyCBCVYIDVPBRTMB-UHFFFAOYSA-N
XLogP5.00
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.25
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-6-(1,2-dihydroxyethyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-3-carboxamide
CID 129233156
6-chloro-5-methoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-3-carboxamide
CID 129233123
N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxamide
CID 134518216
2-(hydroxymethyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]-1,3-thiazole-5-carboxamide
CID 129205666
4-ethyl-5-(methylaminomethyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-2-carboxamide
CID 134525338
2-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide
CID 134518215
6-ethenyl-5-methyl-N-[1-[(3,4,5-trifluorophenyl)methyl]imidazol-4-yl]pyridine-3-carboxamide
CID 129205685
4,4-dimethyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]-2,3-dihydro-1H-isoquinoline-6-carboxamide
CID 135211826
N-[1-[4-methyl-6-(nitrosomethyl)-3-pyridinyl]ethenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-amine
CID 134448042
1-[[3-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxylic acid
CID 86277033
[2-methoxy-5-[(E)-3-oxo-3-[[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]amino]prop-1-enyl]-3-pyridinyl] acetate
CID 155073909
6-(1,2-dihydroxyethyl)-5-fluoro-N-[1-[(3-methylphenyl)methyl]imidazol-4-yl]pyridine-3-carboxamide
CID 129224342

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-ethenyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-6-ethenyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-3-carboxamide (CID 129233338) is 5-bromo-6-ethenyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-6-ethenyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-6-ethenyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-3-carboxamide is C=Cc1ncc(C(=O)Nc2cn(Cc3cccc(C(F)(F)F)c3)cn2)cc1Br.
What is the InChIKey of 5-bromo-6-ethenyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-3-carboxamide?
The InChIKey is CBCVYIDVPBRTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrF3N4O/c1-2-16-15(20)7-13(8-24-16)18(28)26-17-10-27(11-25-17)9-12-4-3-5-14(6-12)19(21,22)23/h2-8,10-11H,1,9H2,(H,26,28).
What are the key properties of 5-bromo-6-ethenyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-3-carboxamide?
5-bromo-6-ethenyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-3-carboxamide has a molecular weight of 451.25 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-ethenyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 129233338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).