1-[2-(3-fluorophenoxy)propyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine;hydroiodide

C20H25FIN5O — CID 111681281

IUPAC1-[2-(3-fluorophenoxy)propyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine;hydroiodide
SMILESC/N=C(/NCCc1cn2ccccc2n1)NCC(C)Oc1cccc(F)c1.I
InChIInChI=1S/C20H24FN5O.HI/c1-15(27-18-7-5-6-16(21)12-18)13-24-20(22-2)23-10-9-17-14-26-11-4-3-8-19(26)25-17;/h3-8,11-12,14-15H,9-10,13H2,1-2H3,(H2,22,23,24);1H
InChIKeyRXEXWKUGRYGMGQ-UHFFFAOYSA-N
MW497.36 g/mol
LogP3.27
Rot. Bonds7

About 1-[2-(3-fluorophenoxy)propyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine;hydroiodide

1-[2-(3-fluorophenoxy)propyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine;hydroiodide (PubChem CID 111681281) has the molecular formula C20H25FIN5O and a molecular weight of 497.36 g/mol. Its IUPAC name is 1-[2-(3-fluorophenoxy)propyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-(3-fluorophenoxy)propyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine;hydroiodide
PubChem CID111681281
Molecular FormulaC20H25FIN5O
Molecular Weight497.36 g/mol
Exact Mass497.11
IUPAC Name1-[2-(3-fluorophenoxy)propyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine;hydroiodide
SMILESC/N=C(/NCCc1cn2ccccc2n1)NCC(C)Oc1cccc(F)c1.I
InChIInChI=1S/C20H24FN5O.HI/c1-15(27-18-7-5-6-16(21)12-18)13-24-20(22-2)23-10-9-17-14-26-11-4-3-8-19(26)25-17;/h3-8,11-12,14-15H,9-10,13H2,1-2H3,(H2,22,23,24);1H
InChIKeyRXEXWKUGRYGMGQ-UHFFFAOYSA-N
XLogP3.27
TPSA62.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.36
LogP ≤ 53.27
H-Bond Donors ≤ 52
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

1-[2-(3-fluorophenoxy)butyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine;hydroiodide
CID 109475248
1-[2-(4-chlorophenoxy)propyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine
CID 111680376
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine
CID 111682608
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide
CID 110941621
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dimethylguanidine;hydroiodide
CID 110914604
1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[2-(3-methylphenoxy)propyl]guanidine
CID 111685254
1-[(4-fluorophenyl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine
CID 111232571
1-[2-(3-fluorophenoxy)propyl]-2-methyl-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine;hydroiodide
CID 111681813
1-[2-(3-fluorophenoxy)propyl]-3-(2-imidazol-1-ylethyl)-2-methylguanidine;hydroiodide
CID 111681765
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dimethylguanidine
CID 99845838
1-(2-ethoxyethyl)-3-[2-(3-fluorophenoxy)propyl]-2-methylguanidine;hydroiodide
CID 111682003
1-[2-(diethylamino)-2-phenylethyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine;hydroiodide
CID 111011074

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenoxy)propyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine;hydroiodide?
The IUPAC name of 1-[2-(3-fluorophenoxy)propyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine;hydroiodide (CID 111681281) is 1-[2-(3-fluorophenoxy)propyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-[2-(3-fluorophenoxy)propyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-[2-(3-fluorophenoxy)propyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine;hydroiodide is C/N=C(/NCCc1cn2ccccc2n1)NCC(C)Oc1cccc(F)c1.I.
What is the InChIKey of 1-[2-(3-fluorophenoxy)propyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine;hydroiodide?
The InChIKey is RXEXWKUGRYGMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5O.HI/c1-15(27-18-7-5-6-16(21)12-18)13-24-20(22-2)23-10-9-17-14-26-11-4-3-8-19(26)25-17;/h3-8,11-12,14-15H,9-10,13H2,1-2H3,(H2,22,23,24);1H.
What are the key properties of 1-[2-(3-fluorophenoxy)propyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine;hydroiodide?
1-[2-(3-fluorophenoxy)propyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine;hydroiodide has a molecular weight of 497.36 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenoxy)propyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine;hydroiodide is sourced from PubChem (CID 111681281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).