N'-[2-(benzimidazol-1-yl)ethyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide

C20H24FIN6 — CID 119118212

IUPACN'-[2-(benzimidazol-1-yl)ethyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
SMILESI.N/C(=N\CCn1cnc2ccccc21)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H23FN6.HI/c21-16-5-7-17(8-6-16)25-11-13-26(14-12-25)20(22)23-9-10-27-15-24-18-3-1-2-4-19(18)27;/h1-8,15H,9-14H2,(H2,22,23);1H
InChIKeyNYXDILMLGKSOAE-UHFFFAOYSA-N
MW494.36 g/mol
LogP2.93
Rot. Bonds4

About N'-[2-(benzimidazol-1-yl)ethyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide

N'-[2-(benzimidazol-1-yl)ethyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide (PubChem CID 119118212) has the molecular formula C20H24FIN6 and a molecular weight of 494.36 g/mol. Its IUPAC name is N'-[2-(benzimidazol-1-yl)ethyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-(benzimidazol-1-yl)ethyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
PubChem CID119118212
Molecular FormulaC20H24FIN6
Molecular Weight494.36 g/mol
Exact Mass494.11
IUPAC NameN'-[2-(benzimidazol-1-yl)ethyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
SMILESI.N/C(=N\CCn1cnc2ccccc21)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H23FN6.HI/c21-16-5-7-17(8-6-16)25-11-13-26(14-12-25)20(22)23-9-10-27-15-24-18-3-1-2-4-19(18)27;/h1-8,15H,9-14H2,(H2,22,23);1H
InChIKeyNYXDILMLGKSOAE-UHFFFAOYSA-N
XLogP2.93
TPSA62.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.36
LogP ≤ 52.93
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N'-[3-(benzimidazol-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111032891
3-(benzimidazol-1-yl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]propanamide
CID 78889836
4-(4-fluorophenyl)-N'-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperazine-1-carboximidamide;hydroiodide
CID 111043439
4-(4-fluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111025570
N'-[3-(1H-benzimidazol-2-yl)propyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
CID 111064225
4-(4-fluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]piperazine-1-carboximidamide
CID 111025571
N'-[2-(4-ethylpiperazin-1-yl)ethyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide
CID 111057246
4-(4-fluorophenyl)-N'-pent-3-enylpiperazine-1-carboximidamide;hydroiodide
CID 111813721
4-(4-fluorophenyl)-N'-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]piperazine-1-carboximidamide
CID 111821232
4-(4-fluorophenyl)-N'-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111088954
4-(4-fluorophenyl)-N'-(4-pyrrolidin-1-ylbutyl)piperazine-1-carboximidamide
CID 111059813
N'-[2-(diethylamino)propyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
CID 111055396

Frequently Asked Questions

What is the IUPAC name of N'-[2-(benzimidazol-1-yl)ethyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-(benzimidazol-1-yl)ethyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide (CID 119118212) is N'-[2-(benzimidazol-1-yl)ethyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-(benzimidazol-1-yl)ethyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-(benzimidazol-1-yl)ethyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide is I.N/C(=N\CCn1cnc2ccccc21)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of N'-[2-(benzimidazol-1-yl)ethyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide?
The InChIKey is NYXDILMLGKSOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN6.HI/c21-16-5-7-17(8-6-16)25-11-13-26(14-12-25)20(22)23-9-10-27-15-24-18-3-1-2-4-19(18)27;/h1-8,15H,9-14H2,(H2,22,23);1H.
What are the key properties of N'-[2-(benzimidazol-1-yl)ethyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide?
N'-[2-(benzimidazol-1-yl)ethyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide has a molecular weight of 494.36 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(benzimidazol-1-yl)ethyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 119118212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).