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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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).