4-(4-fluorophenyl)-N'-[[1-(2-phenylethyl)imidazol-2-yl]methyl]piperazine-1-carboximidamide

C23H27FN6 — CID 111911554

IUPAC4-(4-fluorophenyl)-N'-[[1-(2-phenylethyl)imidazol-2-yl]methyl]piperazine-1-carboximidamide
SMILESN/C(=N\Cc1nccn1CCc1ccccc1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C23H27FN6/c24-20-6-8-21(9-7-20)28-14-16-30(17-15-28)23(25)27-18-22-26-11-13-29(22)12-10-19-4-2-1-3-5-19/h1-9,11,13H,10,12,14-18H2,(H2,25,27)
InChIKeyPLNHOPWHHYCLDS-UHFFFAOYSA-N
MW406.51 g/mol
LogP2.90
Rot. Bonds6

About 4-(4-fluorophenyl)-N'-[[1-(2-phenylethyl)imidazol-2-yl]methyl]piperazine-1-carboximidamide

4-(4-fluorophenyl)-N'-[[1-(2-phenylethyl)imidazol-2-yl]methyl]piperazine-1-carboximidamide (PubChem CID 111911554) has the molecular formula C23H27FN6 and a molecular weight of 406.51 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N'-[[1-(2-phenylethyl)imidazol-2-yl]methyl]piperazine-1-carboximidamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N'-[[1-(2-phenylethyl)imidazol-2-yl]methyl]piperazine-1-carboximidamide
PubChem CID111911554
Molecular FormulaC23H27FN6
Molecular Weight406.51 g/mol
Exact Mass406.23
IUPAC Name4-(4-fluorophenyl)-N'-[[1-(2-phenylethyl)imidazol-2-yl]methyl]piperazine-1-carboximidamide
SMILESN/C(=N\Cc1nccn1CCc1ccccc1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C23H27FN6/c24-20-6-8-21(9-7-20)28-14-16-30(17-15-28)23(25)27-18-22-26-11-13-29(22)12-10-19-4-2-1-3-5-19/h1-9,11,13H,10,12,14-18H2,(H2,25,27)
InChIKeyPLNHOPWHHYCLDS-UHFFFAOYSA-N
XLogP2.90
TPSA62.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-(4-fluorophenyl)-N'-[(2-pyrazol-1-ylphenyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111074504
4-(4-fluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]piperazine-1-carboximidamide
CID 111025571
4-(4-fluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111025570
4-(4-fluorophenyl)-N'-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111088954
4-(4-fluorophenyl)-N'-[(2-methylpyrazol-3-yl)methyl]piperazine-1-carboximidamide
CID 111064796
4-(4-fluorophenyl)-N'-[(4-hydroxyphenyl)methyl]piperazine-1-carboximidamide
CID 111042071
N'-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
CID 111065961
4-(4-fluorophenyl)-N'-[(3-methyl-2-pyridinyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111802431
4-(4-fluorophenyl)-N'-[(2-imidazol-1-yl-4-pyridinyl)methyl]piperazine-1-carboximidamide
CID 111088513
4-[[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]methyl]benzamide;hydroiodide
CID 111030255
4-(4-fluorophenyl)-N'-[(4-methyl-2-pyridinyl)methyl]piperazine-1-carboximidamide
CID 122096482
4-(4-fluorophenyl)-N'-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111041454

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N'-[[1-(2-phenylethyl)imidazol-2-yl]methyl]piperazine-1-carboximidamide?
The IUPAC name of 4-(4-fluorophenyl)-N'-[[1-(2-phenylethyl)imidazol-2-yl]methyl]piperazine-1-carboximidamide (CID 111911554) is 4-(4-fluorophenyl)-N'-[[1-(2-phenylethyl)imidazol-2-yl]methyl]piperazine-1-carboximidamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N'-[[1-(2-phenylethyl)imidazol-2-yl]methyl]piperazine-1-carboximidamide?
The canonical SMILES for 4-(4-fluorophenyl)-N'-[[1-(2-phenylethyl)imidazol-2-yl]methyl]piperazine-1-carboximidamide is N/C(=N\Cc1nccn1CCc1ccccc1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 4-(4-fluorophenyl)-N'-[[1-(2-phenylethyl)imidazol-2-yl]methyl]piperazine-1-carboximidamide?
The InChIKey is PLNHOPWHHYCLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN6/c24-20-6-8-21(9-7-20)28-14-16-30(17-15-28)23(25)27-18-22-26-11-13-29(22)12-10-19-4-2-1-3-5-19/h1-9,11,13H,10,12,14-18H2,(H2,25,27).
What are the key properties of 4-(4-fluorophenyl)-N'-[[1-(2-phenylethyl)imidazol-2-yl]methyl]piperazine-1-carboximidamide?
4-(4-fluorophenyl)-N'-[[1-(2-phenylethyl)imidazol-2-yl]methyl]piperazine-1-carboximidamide has a molecular weight of 406.51 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N'-[[1-(2-phenylethyl)imidazol-2-yl]methyl]piperazine-1-carboximidamide is sourced from PubChem (CID 111911554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).