4-(furan-2-carbonyl)-N'-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]piperazine-1-carboximidamide;hydroiodide

C17H25IN6O2 — CID 119130518

IUPAC4-(furan-2-carbonyl)-N'-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCn1ccnc1C)N1CCN(C(=O)c2ccco2)CC1.I
InChIInChI=1S/C17H24N6O2.HI/c1-14-19-5-7-21(14)8-6-20-17(18-2)23-11-9-22(10-12-23)16(24)15-4-3-13-25-15;/h3-5,7,13H,6,8-12H2,1-2H3,(H,18,20);1H
InChIKeyHCUOTMMZODULCU-UHFFFAOYSA-N
MW472.33 g/mol
LogP1.44
Rot. Bonds4

About 4-(furan-2-carbonyl)-N'-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]piperazine-1-carboximidamide;hydroiodide

4-(furan-2-carbonyl)-N'-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]piperazine-1-carboximidamide;hydroiodide (PubChem CID 119130518) has the molecular formula C17H25IN6O2 and a molecular weight of 472.33 g/mol. Its IUPAC name is 4-(furan-2-carbonyl)-N'-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]piperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name4-(furan-2-carbonyl)-N'-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
PubChem CID119130518
Molecular FormulaC17H25IN6O2
Molecular Weight472.33 g/mol
Exact Mass472.11
IUPAC Name4-(furan-2-carbonyl)-N'-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCn1ccnc1C)N1CCN(C(=O)c2ccco2)CC1.I
InChIInChI=1S/C17H24N6O2.HI/c1-14-19-5-7-21(14)8-6-20-17(18-2)23-11-9-22(10-12-23)16(24)15-4-3-13-25-15;/h3-5,7,13H,6,8-12H2,1-2H3,(H,18,20);1H
InChIKeyHCUOTMMZODULCU-UHFFFAOYSA-N
XLogP1.44
TPSA78.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.33
LogP ≤ 51.44
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-(furan-2-carbonyl)-N-(2-imidazol-1-ylethyl)-N'-methylpiperazine-1-carboximidamide
CID 111166861
N-butyl-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111166854
4-(furan-2-carbonyl)-N'-methyl-N-(3-methylbutyl)piperazine-1-carboximidamide
CID 111168423
4-(furan-2-carbonyl)-N'-methyl-N-(2-morpholin-4-ylethyl)piperazine-1-carboximidamide
CID 119130385
4-(furan-2-carbonyl)-N-[2-(furan-2-yl)ethyl]-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111168514
N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111168602
4-(furan-2-carbonyl)-N'-methyl-N-[2-(3-methyl-4-pyridinyl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 109401344
4-(furan-2-carbonyl)-N-[2-(furan-2-yl)ethyl]-N'-methylpiperazine-1-carboximidamide
CID 111168515
4-(furan-2-carbonyl)-N'-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]piperazine-1-carboximidamide
CID 111167439
4-(furan-2-carbonyl)-N'-methyl-N-[2-(pyrazin-2-ylamino)ethyl]piperazine-1-carboximidamide
CID 119130447
4-(furan-2-carbonyl)-N'-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]piperazine-1-carboximidamide
CID 111168013
N-[2-[benzyl(methyl)amino]ethyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111167108

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-carbonyl)-N'-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]piperazine-1-carboximidamide;hydroiodide?
The IUPAC name of 4-(furan-2-carbonyl)-N'-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]piperazine-1-carboximidamide;hydroiodide (CID 119130518) is 4-(furan-2-carbonyl)-N'-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]piperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 4-(furan-2-carbonyl)-N'-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]piperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for 4-(furan-2-carbonyl)-N'-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]piperazine-1-carboximidamide;hydroiodide is C/N=C(\NCCn1ccnc1C)N1CCN(C(=O)c2ccco2)CC1.I.
What is the InChIKey of 4-(furan-2-carbonyl)-N'-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]piperazine-1-carboximidamide;hydroiodide?
The InChIKey is HCUOTMMZODULCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2.HI/c1-14-19-5-7-21(14)8-6-20-17(18-2)23-11-9-22(10-12-23)16(24)15-4-3-13-25-15;/h3-5,7,13H,6,8-12H2,1-2H3,(H,18,20);1H.
What are the key properties of 4-(furan-2-carbonyl)-N'-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]piperazine-1-carboximidamide;hydroiodide?
4-(furan-2-carbonyl)-N'-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]piperazine-1-carboximidamide;hydroiodide has a molecular weight of 472.33 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-carbonyl)-N'-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]piperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 119130518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).