N-[4-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazine-1-carbonyl]phenyl]acetamide

C18H21F2N5O2 — CID 78832007

IUPACN-[4-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazine-1-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)N2CCN(Cc3nccn3C(F)F)CC2)cc1
InChIInChI=1S/C18H21F2N5O2/c1-13(26)22-15-4-2-14(3-5-15)17(27)24-10-8-23(9-11-24)12-16-21-6-7-25(16)18(19)20/h2-7,18H,8-12H2,1H3,(H,22,26)
InChIKeyVRJMXKUHBUFPNE-UHFFFAOYSA-N
MW377.40 g/mol
LogP2.19
Rot. Bonds5

About N-[4-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazine-1-carbonyl]phenyl]acetamide

N-[4-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazine-1-carbonyl]phenyl]acetamide (PubChem CID 78832007) has the molecular formula C18H21F2N5O2 and a molecular weight of 377.40 g/mol. Its IUPAC name is N-[4-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazine-1-carbonyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazine-1-carbonyl]phenyl]acetamide
PubChem CID78832007
Molecular FormulaC18H21F2N5O2
Molecular Weight377.40 g/mol
Exact Mass377.17
IUPAC NameN-[4-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazine-1-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)N2CCN(Cc3nccn3C(F)F)CC2)cc1
InChIInChI=1S/C18H21F2N5O2/c1-13(26)22-15-4-2-14(3-5-15)17(27)24-10-8-23(9-11-24)12-16-21-6-7-25(16)18(19)20/h2-7,18H,8-12H2,1H3,(H,22,26)
InChIKeyVRJMXKUHBUFPNE-UHFFFAOYSA-N
XLogP2.19
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(4-phenylphenyl)methanone
CID 78832010
4-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 78847721
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
1-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-4-(4-ethoxyphenyl)butane-1,4-dione
CID 112806100
4-acetyl-2-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]benzonitrile
CID 133456890
3-cyclopropyl-1-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-3-methylbutan-1-one
CID 126800766
3-amino-1-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-2-methyl-3-phenylpropan-1-one;dihydrochloride
CID 119868000
N-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]acetamide
CID 18166383
(4-tert-butylphenyl)-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone
CID 121450338
N-[4-[4-(thiophen-3-ylmethyl)piperazine-1-carbonyl]phenyl]acetamide
CID 6733780

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazine-1-carbonyl]phenyl]acetamide?
The IUPAC name of N-[4-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazine-1-carbonyl]phenyl]acetamide (CID 78832007) is N-[4-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazine-1-carbonyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazine-1-carbonyl]phenyl]acetamide?
The canonical SMILES for N-[4-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazine-1-carbonyl]phenyl]acetamide is CC(=O)Nc1ccc(C(=O)N2CCN(Cc3nccn3C(F)F)CC2)cc1.
What is the InChIKey of N-[4-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazine-1-carbonyl]phenyl]acetamide?
The InChIKey is VRJMXKUHBUFPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N5O2/c1-13(26)22-15-4-2-14(3-5-15)17(27)24-10-8-23(9-11-24)12-16-21-6-7-25(16)18(19)20/h2-7,18H,8-12H2,1H3,(H,22,26).
What are the key properties of N-[4-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazine-1-carbonyl]phenyl]acetamide?
N-[4-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazine-1-carbonyl]phenyl]acetamide has a molecular weight of 377.40 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazine-1-carbonyl]phenyl]acetamide is sourced from PubChem (CID 78832007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).