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

C20H22FN7 — CID 111088513

IUPAC4-(4-fluorophenyl)-N'-[(2-imidazol-1-yl-4-pyridinyl)methyl]piperazine-1-carboximidamide
SMILESN/C(=N\Cc1ccnc(-n2ccnc2)c1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H22FN7/c21-17-1-3-18(4-2-17)26-9-11-27(12-10-26)20(22)25-14-16-5-6-24-19(13-16)28-8-7-23-15-28/h1-8,13,15H,9-12,14H2,(H2,22,25)
InChIKeyUMSYISIHUHLMOE-UHFFFAOYSA-N
MW379.44 g/mol
LogP2.04
Rot. Bonds4

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

4-(4-fluorophenyl)-N'-[(2-imidazol-1-yl-4-pyridinyl)methyl]piperazine-1-carboximidamide (PubChem CID 111088513) has the molecular formula C20H22FN7 and a molecular weight of 379.44 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N'-[(2-imidazol-1-yl-4-pyridinyl)methyl]piperazine-1-carboximidamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N'-[(2-imidazol-1-yl-4-pyridinyl)methyl]piperazine-1-carboximidamide
PubChem CID111088513
Molecular FormulaC20H22FN7
Molecular Weight379.44 g/mol
Exact Mass379.19
IUPAC Name4-(4-fluorophenyl)-N'-[(2-imidazol-1-yl-4-pyridinyl)methyl]piperazine-1-carboximidamide
SMILESN/C(=N\Cc1ccnc(-n2ccnc2)c1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H22FN7/c21-17-1-3-18(4-2-17)26-9-11-27(12-10-26)20(22)25-14-16-5-6-24-19(13-16)28-8-7-23-15-28/h1-8,13,15H,9-12,14H2,(H2,22,25)
InChIKeyUMSYISIHUHLMOE-UHFFFAOYSA-N
XLogP2.04
TPSA75.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-pyrrolidin-1-yl-4-pyridinyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111041454
N'-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111061860
4-(4-fluorophenyl)-N'-[(4-methyl-2-pyridinyl)methyl]piperazine-1-carboximidamide
CID 122096482
4-(4-fluorophenyl)-N'-[(4-hydroxyphenyl)methyl]piperazine-1-carboximidamide
CID 111042071
4-(4-chlorophenyl)-N'-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]piperazine-1-carboximidamide
CID 111087001
1,1-diethyl-2-[(2-imidazol-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide
CID 111088458
2-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]methyl]-1-propylguanidine
CID 111061819
1-(3,5-dimethylphenyl)-2-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]methyl]guanidine;hydroiodide
CID 111061822
N'-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide
CID 111068443
1-ethyl-3-[2-(4-fluorophenyl)ethyl]-2-[(2-imidazol-1-yl-4-pyridinyl)methyl]guanidine
CID 111230685
4-(4-fluorophenyl)-N'-[[1-(2-phenylethyl)imidazol-2-yl]methyl]piperazine-1-carboximidamide
CID 111911554
N'-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111080084

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N'-[(2-imidazol-1-yl-4-pyridinyl)methyl]piperazine-1-carboximidamide?
The IUPAC name of 4-(4-fluorophenyl)-N'-[(2-imidazol-1-yl-4-pyridinyl)methyl]piperazine-1-carboximidamide (CID 111088513) is 4-(4-fluorophenyl)-N'-[(2-imidazol-1-yl-4-pyridinyl)methyl]piperazine-1-carboximidamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N'-[(2-imidazol-1-yl-4-pyridinyl)methyl]piperazine-1-carboximidamide?
The canonical SMILES for 4-(4-fluorophenyl)-N'-[(2-imidazol-1-yl-4-pyridinyl)methyl]piperazine-1-carboximidamide is N/C(=N\Cc1ccnc(-n2ccnc2)c1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 4-(4-fluorophenyl)-N'-[(2-imidazol-1-yl-4-pyridinyl)methyl]piperazine-1-carboximidamide?
The InChIKey is UMSYISIHUHLMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN7/c21-17-1-3-18(4-2-17)26-9-11-27(12-10-26)20(22)25-14-16-5-6-24-19(13-16)28-8-7-23-15-28/h1-8,13,15H,9-12,14H2,(H2,22,25).
What are the key properties of 4-(4-fluorophenyl)-N'-[(2-imidazol-1-yl-4-pyridinyl)methyl]piperazine-1-carboximidamide?
4-(4-fluorophenyl)-N'-[(2-imidazol-1-yl-4-pyridinyl)methyl]piperazine-1-carboximidamide has a molecular weight of 379.44 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N'-[(2-imidazol-1-yl-4-pyridinyl)methyl]piperazine-1-carboximidamide is sourced from PubChem (CID 111088513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).