4-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(4-fluorophenyl)piperazine-1-carboxamide

C16H18F3N5O — CID 78847721

IUPAC4-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(4-fluorophenyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CCN(Cc2nccn2C(F)F)CC1
InChIInChI=1S/C16H18F3N5O/c17-12-1-3-13(4-2-12)21-16(25)23-9-7-22(8-10-23)11-14-20-5-6-24(14)15(18)19/h1-6,15H,7-11H2,(H,21,25)
InChIKeyYRJACPYQBQZHDL-UHFFFAOYSA-N
MW353.35 g/mol
LogP2.77
Rot. Bonds4

About 4-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(4-fluorophenyl)piperazine-1-carboxamide

4-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(4-fluorophenyl)piperazine-1-carboxamide (PubChem CID 78847721) has the molecular formula C16H18F3N5O and a molecular weight of 353.35 g/mol. Its IUPAC name is 4-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(4-fluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(4-fluorophenyl)piperazine-1-carboxamide
PubChem CID78847721
Molecular FormulaC16H18F3N5O
Molecular Weight353.35 g/mol
Exact Mass353.15
IUPAC Name4-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(4-fluorophenyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CCN(Cc2nccn2C(F)F)CC1
InChIInChI=1S/C16H18F3N5O/c17-12-1-3-13(4-2-12)21-16(25)23-9-7-22(8-10-23)11-14-20-5-6-24(14)15(18)19/h1-6,15H,7-11H2,(H,21,25)
InChIKeyYRJACPYQBQZHDL-UHFFFAOYSA-N
XLogP2.77
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazine-1-carbonyl]phenyl]acetamide
CID 78832007
4-[2-(2-ethylimidazol-1-yl)ethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 90561851
1-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]butan-1-one
CID 166191537
1-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120704064
2-amino-1-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one;dihydrochloride
CID 119867986
[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(4-phenylphenyl)methanone
CID 78832010
1-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-4-N-(4-fluorophenyl)piperazine-1,4-dicarboxamide
CID 175260722
N-(4-fluorophenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 3030092
(1-aminocyclopentyl)-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]methanone;dihydrochloride
CID 119868002
3-cyclopropyl-1-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-3-methylbutan-1-one
CID 126800766
N-(4-tert-butylphenyl)-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107573
(3S)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-phenylpiperidin-3-amine
CID 124610098

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(4-fluorophenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(4-fluorophenyl)piperazine-1-carboxamide (CID 78847721) is 4-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(4-fluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(4-fluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(4-fluorophenyl)piperazine-1-carboxamide is O=C(Nc1ccc(F)cc1)N1CCN(Cc2nccn2C(F)F)CC1.
What is the InChIKey of 4-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(4-fluorophenyl)piperazine-1-carboxamide?
The InChIKey is YRJACPYQBQZHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5O/c17-12-1-3-13(4-2-12)21-16(25)23-9-7-22(8-10-23)11-14-20-5-6-24(14)15(18)19/h1-6,15H,7-11H2,(H,21,25).
What are the key properties of 4-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(4-fluorophenyl)piperazine-1-carboxamide?
4-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(4-fluorophenyl)piperazine-1-carboxamide has a molecular weight of 353.35 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(4-fluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 78847721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).