N-[[2-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-5-(trifluoromethyl)-1H-imidazole-4-carboxamide

C11H11F5N6O — CID 155952802

IUPACN-[[2-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-5-(trifluoromethyl)-1H-imidazole-4-carboxamide
SMILESCN(Cc1ncnn1CC(F)F)C(=O)c1nc[nH]c1C(F)(F)F
InChIInChI=1S/C11H11F5N6O/c1-21(3-7-17-5-20-22(7)2-6(12)13)10(23)8-9(11(14,15)16)19-4-18-8/h4-6H,2-3H2,1H3,(H,18,19)
InChIKeyYVCUISNKQKFDST-UHFFFAOYSA-N
MW338.24 g/mol
LogP1.56
Rot. Bonds5

About N-[[2-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-5-(trifluoromethyl)-1H-imidazole-4-carboxamide

N-[[2-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-5-(trifluoromethyl)-1H-imidazole-4-carboxamide (PubChem CID 155952802) has the molecular formula C11H11F5N6O and a molecular weight of 338.24 g/mol. Its IUPAC name is N-[[2-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-5-(trifluoromethyl)-1H-imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[[2-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-5-(trifluoromethyl)-1H-imidazole-4-carboxamide
PubChem CID155952802
Molecular FormulaC11H11F5N6O
Molecular Weight338.24 g/mol
Exact Mass338.09
IUPAC NameN-[[2-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-5-(trifluoromethyl)-1H-imidazole-4-carboxamide
SMILESCN(Cc1ncnn1CC(F)F)C(=O)c1nc[nH]c1C(F)(F)F
InChIInChI=1S/C11H11F5N6O/c1-21(3-7-17-5-20-22(7)2-6(12)13)10(23)8-9(11(14,15)16)19-4-18-8/h4-6H,2-3H2,1H3,(H,18,19)
InChIKeyYVCUISNKQKFDST-UHFFFAOYSA-N
XLogP1.56
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.24
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(2S)-1-propylpyrrolidin-2-yl]methyl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide
CID 138035464
3-ethyl-5-methyl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]triazole-4-carboxamide
CID 138036813
N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide
CID 164633193
9-butyl-7-(trifluoromethyl)-6H-[1,2,4]triazolo[4,3-a]purin-5-one
CID 25061711
9-pentyl-3-(trifluoromethyl)-6,9-dihydro-5H-[1,2,4]triazolo[4,3-a]purin-5-one
CID 57600302
2-ethyl-4-propyl-6H-[1,2,4]triazolo[5,1-b]purin-5-one
CID 9816312
2-methyl-N-{[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl}-1H-imidazole-4-carboxamide
CID 119059928
1-[(4-methyl-1H-imidazol-5-yl)carbonyl]-4-(2,2,2-trifluoroethyl)piperazine
CID 131943447
7-[5-(trifluoromethyl)-1H-imidazole-4-carbonyl]-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 132300487
N-(1-cyclopropylpyrrolidin-3-yl)-5-(trifluoromethyl)-1H-imidazole-4-carboxamide
CID 138034207
N-(1-methyl-5-oxopyrrolidin-3-yl)-5-(trifluoromethyl)-1H-imidazole-4-carboxamide
CID 138034311
N-(1-propanoylpyrrolidin-3-yl)-5-(trifluoromethyl)-1H-imidazole-4-carboxamide
CID 138034756

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-5-(trifluoromethyl)-1H-imidazole-4-carboxamide?
The IUPAC name of N-[[2-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-5-(trifluoromethyl)-1H-imidazole-4-carboxamide (CID 155952802) is N-[[2-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-5-(trifluoromethyl)-1H-imidazole-4-carboxamide.
What is the SMILES notation for N-[[2-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-5-(trifluoromethyl)-1H-imidazole-4-carboxamide?
The canonical SMILES for N-[[2-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-5-(trifluoromethyl)-1H-imidazole-4-carboxamide is CN(Cc1ncnn1CC(F)F)C(=O)c1nc[nH]c1C(F)(F)F.
What is the InChIKey of N-[[2-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-5-(trifluoromethyl)-1H-imidazole-4-carboxamide?
The InChIKey is YVCUISNKQKFDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F5N6O/c1-21(3-7-17-5-20-22(7)2-6(12)13)10(23)8-9(11(14,15)16)19-4-18-8/h4-6H,2-3H2,1H3,(H,18,19).
What are the key properties of N-[[2-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-5-(trifluoromethyl)-1H-imidazole-4-carboxamide?
N-[[2-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-5-(trifluoromethyl)-1H-imidazole-4-carboxamide has a molecular weight of 338.24 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-5-(trifluoromethyl)-1H-imidazole-4-carboxamide is sourced from PubChem (CID 155952802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).