N-ethyl-4-(2-fluorophenyl)-N'-(2-imidazol-1-ylethyl)piperazine-1-carboximidamide

C18H25FN6 — CID 111148161

IUPACN-ethyl-4-(2-fluorophenyl)-N'-(2-imidazol-1-ylethyl)piperazine-1-carboximidamide
SMILESCCN/C(=N\CCn1ccnc1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C18H25FN6/c1-2-21-18(22-8-10-23-9-7-20-15-23)25-13-11-24(12-14-25)17-6-4-3-5-16(17)19/h3-7,9,15H,2,8,10-14H2,1H3,(H,21,22)
InChIKeyIXTCPDWGWLNUGN-UHFFFAOYSA-N
MW344.44 g/mol
LogP1.81
Rot. Bonds5

About N-ethyl-4-(2-fluorophenyl)-N'-(2-imidazol-1-ylethyl)piperazine-1-carboximidamide

N-ethyl-4-(2-fluorophenyl)-N'-(2-imidazol-1-ylethyl)piperazine-1-carboximidamide (PubChem CID 111148161) has the molecular formula C18H25FN6 and a molecular weight of 344.44 g/mol. Its IUPAC name is N-ethyl-4-(2-fluorophenyl)-N'-(2-imidazol-1-ylethyl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-4-(2-fluorophenyl)-N'-(2-imidazol-1-ylethyl)piperazine-1-carboximidamide
PubChem CID111148161
Molecular FormulaC18H25FN6
Molecular Weight344.44 g/mol
Exact Mass344.21
IUPAC NameN-ethyl-4-(2-fluorophenyl)-N'-(2-imidazol-1-ylethyl)piperazine-1-carboximidamide
SMILESCCN/C(=N\CCn1ccnc1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C18H25FN6/c1-2-21-18(22-8-10-23-9-7-20-15-23)25-13-11-24(12-14-25)17-6-4-3-5-16(17)19/h3-7,9,15H,2,8,10-14H2,1H3,(H,21,22)
InChIKeyIXTCPDWGWLNUGN-UHFFFAOYSA-N
XLogP1.81
TPSA48.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 51.81
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

N-ethyl-N'-(2-imidazol-1-ylethyl)-4-(4-methoxyphenyl)piperazine-1-carboximidamide
CID 111243033
N-ethyl-4-(2-fluorophenyl)-N'-[2-(methanesulfonamido)ethyl]piperazine-1-carboximidamide
CID 111148643
N-ethyl-4-(2-fluorophenyl)-N'-[4-(4-methylpiperazin-1-yl)butyl]piperazine-1-carboximidamide
CID 111148962
N,N-diethyl-3-[[ethylamino-[4-(2-fluorophenyl)piperazin-1-yl]methylidene]amino]propanamide
CID 111148661
4-benzyl-N-ethyl-N'-(2-imidazol-1-ylethyl)piperidine-1-carboximidamide;hydroiodide
CID 111152407
N-ethyl-4-(2-fluorophenyl)-N'-(2-sulfamoylethyl)piperazine-1-carboximidamide
CID 111148489
N-ethyl-4-(2-fluorophenyl)-N'-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperazine-1-carboximidamide
CID 111148984
N-ethyl-4-(2-fluorophenyl)-N'-(3-oxo-3-pyrrolidin-1-ylpropyl)piperazine-1-carboximidamide
CID 111148669
N-ethyl-4-(2-fluorophenyl)-N'-(4-morpholin-4-ylbutyl)piperazine-1-carboximidamide
CID 111148369
N-ethyl-4-(2-fluorophenyl)-N'-(3-propan-2-yloxypropyl)piperazine-1-carboximidamide
CID 111148463
4-acetyl-N-ethyl-N'-(3-imidazol-1-ylpropyl)piperazine-1-carboximidamide;hydroiodide
CID 110963148
N-ethyl-4-(2-fluorophenyl)-N'-(3-propan-2-yloxypropyl)piperazine-1-carboximidamide;hydroiodide
CID 111148462

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2-fluorophenyl)-N'-(2-imidazol-1-ylethyl)piperazine-1-carboximidamide?
The IUPAC name of N-ethyl-4-(2-fluorophenyl)-N'-(2-imidazol-1-ylethyl)piperazine-1-carboximidamide (CID 111148161) is N-ethyl-4-(2-fluorophenyl)-N'-(2-imidazol-1-ylethyl)piperazine-1-carboximidamide.
What is the SMILES notation for N-ethyl-4-(2-fluorophenyl)-N'-(2-imidazol-1-ylethyl)piperazine-1-carboximidamide?
The canonical SMILES for N-ethyl-4-(2-fluorophenyl)-N'-(2-imidazol-1-ylethyl)piperazine-1-carboximidamide is CCN/C(=N\CCn1ccnc1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of N-ethyl-4-(2-fluorophenyl)-N'-(2-imidazol-1-ylethyl)piperazine-1-carboximidamide?
The InChIKey is IXTCPDWGWLNUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN6/c1-2-21-18(22-8-10-23-9-7-20-15-23)25-13-11-24(12-14-25)17-6-4-3-5-16(17)19/h3-7,9,15H,2,8,10-14H2,1H3,(H,21,22).
What are the key properties of N-ethyl-4-(2-fluorophenyl)-N'-(2-imidazol-1-ylethyl)piperazine-1-carboximidamide?
N-ethyl-4-(2-fluorophenyl)-N'-(2-imidazol-1-ylethyl)piperazine-1-carboximidamide has a molecular weight of 344.44 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2-fluorophenyl)-N'-(2-imidazol-1-ylethyl)piperazine-1-carboximidamide is sourced from PubChem (CID 111148161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).