1-(2,3-diphenylpropyl)-3-[(3-fluoro-2-pyridinyl)methyl]-2-methylguanidine;hydroiodide

C23H26FIN4 — CID 109389380

IUPAC1-(2,3-diphenylpropyl)-3-[(3-fluoro-2-pyridinyl)methyl]-2-methylguanidine;hydroiodide
SMILESC/N=C(/NCc1ncccc1F)NCC(Cc1ccccc1)c1ccccc1.I
InChIInChI=1S/C23H25FN4.HI/c1-25-23(28-17-22-21(24)13-8-14-26-22)27-16-20(19-11-6-3-7-12-19)15-18-9-4-2-5-10-18;/h2-14,20H,15-17H2,1H3,(H2,25,27,28);1H
InChIKeyQSFHGFZVAJFKMH-UHFFFAOYSA-N
MW504.39 g/mol
LogP4.53
Rot. Bonds7

About 1-(2,3-diphenylpropyl)-3-[(3-fluoro-2-pyridinyl)methyl]-2-methylguanidine;hydroiodide

1-(2,3-diphenylpropyl)-3-[(3-fluoro-2-pyridinyl)methyl]-2-methylguanidine;hydroiodide (PubChem CID 109389380) has the molecular formula C23H26FIN4 and a molecular weight of 504.39 g/mol. Its IUPAC name is 1-(2,3-diphenylpropyl)-3-[(3-fluoro-2-pyridinyl)methyl]-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-(2,3-diphenylpropyl)-3-[(3-fluoro-2-pyridinyl)methyl]-2-methylguanidine;hydroiodide
PubChem CID109389380
Molecular FormulaC23H26FIN4
Molecular Weight504.39 g/mol
Exact Mass504.12
IUPAC Name1-(2,3-diphenylpropyl)-3-[(3-fluoro-2-pyridinyl)methyl]-2-methylguanidine;hydroiodide
SMILESC/N=C(/NCc1ncccc1F)NCC(Cc1ccccc1)c1ccccc1.I
InChIInChI=1S/C23H25FN4.HI/c1-25-23(28-17-22-21(24)13-8-14-26-22)27-16-20(19-11-6-3-7-12-19)15-18-9-4-2-5-10-18;/h2-14,20H,15-17H2,1H3,(H2,25,27,28);1H
InChIKeyQSFHGFZVAJFKMH-UHFFFAOYSA-N
XLogP4.53
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.39
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

1-(2,3-diphenylpropyl)-2-methyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine;hydroiodide
CID 109389339
1-(2,3-diphenylpropyl)-2-methyl-3-prop-2-ynylguanidine
CID 109389814
1-ethyl-2-[(3-fluoro-2-pyridinyl)methyl]-3-(3-hydroxy-2-phenylpropyl)guanidine;hydroiodide
CID 109409789
1-(2,3-diphenylpropyl)-3-(2-ethoxyethyl)-2-methylguanidine;hydroiodide
CID 109389517
N-[2-[[N-(2,3-diphenylpropyl)-N'-methylcarbamimidoyl]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 109389519
1-(2,3-diphenylpropyl)-2-methyl-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]guanidine
CID 109389195
1-[(3-fluorophenyl)methyl]-3-(3-hydroxy-2-phenylpropyl)-2-methylguanidine
CID 109409179
1-(3-hydroxy-2-phenylpropyl)-2-methyl-3-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]guanidine
CID 109409772
1-(2,3-diphenylpropyl)-2-methyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine
CID 109389587
1-(2,3-diphenylpropyl)-2-methyl-3-[(5-sulfamoylthiophen-2-yl)methyl]guanidine
CID 109389816
1-(3-hydroxy-2-phenylpropyl)-2-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]guanidine;hydroiodide
CID 109409747
1-benzyl-2-methyl-3-(2-phenylpropyl)guanidine;hydroiodide
CID 110953981

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-diphenylpropyl)-3-[(3-fluoro-2-pyridinyl)methyl]-2-methylguanidine;hydroiodide?
The IUPAC name of 1-(2,3-diphenylpropyl)-3-[(3-fluoro-2-pyridinyl)methyl]-2-methylguanidine;hydroiodide (CID 109389380) is 1-(2,3-diphenylpropyl)-3-[(3-fluoro-2-pyridinyl)methyl]-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-(2,3-diphenylpropyl)-3-[(3-fluoro-2-pyridinyl)methyl]-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-(2,3-diphenylpropyl)-3-[(3-fluoro-2-pyridinyl)methyl]-2-methylguanidine;hydroiodide is C/N=C(/NCc1ncccc1F)NCC(Cc1ccccc1)c1ccccc1.I.
What is the InChIKey of 1-(2,3-diphenylpropyl)-3-[(3-fluoro-2-pyridinyl)methyl]-2-methylguanidine;hydroiodide?
The InChIKey is QSFHGFZVAJFKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4.HI/c1-25-23(28-17-22-21(24)13-8-14-26-22)27-16-20(19-11-6-3-7-12-19)15-18-9-4-2-5-10-18;/h2-14,20H,15-17H2,1H3,(H2,25,27,28);1H.
What are the key properties of 1-(2,3-diphenylpropyl)-3-[(3-fluoro-2-pyridinyl)methyl]-2-methylguanidine;hydroiodide?
1-(2,3-diphenylpropyl)-3-[(3-fluoro-2-pyridinyl)methyl]-2-methylguanidine;hydroiodide has a molecular weight of 504.39 g/mol, XLogP of 4.53, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-diphenylpropyl)-3-[(3-fluoro-2-pyridinyl)methyl]-2-methylguanidine;hydroiodide is sourced from PubChem (CID 109389380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).