(5-methyl-1H-imidazol-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone

C11H15F3N4O — CID 131943447

IUPAC(5-methyl-1H-imidazol-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
SMILESCc1[nH]cnc1C(=O)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H15F3N4O/c1-8-9(16-7-15-8)10(19)18-4-2-17(3-5-18)6-11(12,13)14/h7H,2-6H2,1H3,(H,15,16)
InChIKeyNOKYNZCVWIQLCN-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.04
Rot. Bonds2

About (5-methyl-1H-imidazol-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone

(5-methyl-1H-imidazol-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone (PubChem CID 131943447) has the molecular formula C11H15F3N4O and a molecular weight of 276.26 g/mol. Its IUPAC name is (5-methyl-1H-imidazol-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-methyl-1H-imidazol-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
PubChem CID131943447
Molecular FormulaC11H15F3N4O
Molecular Weight276.26 g/mol
Exact Mass276.12
IUPAC Name(5-methyl-1H-imidazol-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
SMILESCc1[nH]cnc1C(=O)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H15F3N4O/c1-8-9(16-7-15-8)10(19)18-4-2-17(3-5-18)6-11(12,13)14/h7H,2-6H2,1H3,(H,15,16)
InChIKeyNOKYNZCVWIQLCN-UHFFFAOYSA-N
XLogP1.04
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-methylpyrazin-2-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 163346703
1-(5-methyl-1H-imidazole-4-carbonyl)piperidine-4-carboxamide
CID 110683912
4-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-2H-phthalazin-1-one
CID 17435748
1H-pyrazol-4-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 60786982
[4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1,4-diazepan-1-yl]-(5-methyl-1H-imidazol-4-yl)methanone;formic acid
CID 154919565
[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-(5-methyl-1H-imidazol-4-yl)methanone
CID 70767483
(5-methyl-1H-imidazol-4-yl)-[4-[(2-pyrazol-1-ylphenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 134701801
(6-fluoro-3-pyridinyl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 63979493
ethane;1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
CID 143483059
(2-hydroxy-5-methylphenyl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 60706667
(5-methyl-1H-imidazol-4-yl)-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95469001
(4-amino-1-methylpyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 65359335

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1H-imidazol-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The IUPAC name of (5-methyl-1H-imidazol-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone (CID 131943447) is (5-methyl-1H-imidazol-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-methyl-1H-imidazol-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The canonical SMILES for (5-methyl-1H-imidazol-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone is Cc1[nH]cnc1C(=O)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of (5-methyl-1H-imidazol-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The InChIKey is NOKYNZCVWIQLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O/c1-8-9(16-7-15-8)10(19)18-4-2-17(3-5-18)6-11(12,13)14/h7H,2-6H2,1H3,(H,15,16).
What are the key properties of (5-methyl-1H-imidazol-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
(5-methyl-1H-imidazol-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone has a molecular weight of 276.26 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1H-imidazol-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 131943447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).