1-[(3-fluoro-4-methylphenyl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine;hydroiodide

C19H23FIN5 — CID 111844940

IUPAC1-[(3-fluoro-4-methylphenyl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine;hydroiodide
SMILESC/N=C(/NCCc1cn2ccccc2n1)NCc1ccc(C)c(F)c1.I
InChIInChI=1S/C19H22FN5.HI/c1-14-6-7-15(11-17(14)20)12-23-19(21-2)22-9-8-16-13-25-10-4-3-5-18(25)24-16;/h3-7,10-11,13H,8-9,12H2,1-2H3,(H2,21,22,23);1H
InChIKeyMDBVAWUFQJTIIK-UHFFFAOYSA-N
MW467.33 g/mol
LogP3.31
Rot. Bonds5

About 1-[(3-fluoro-4-methylphenyl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine;hydroiodide

1-[(3-fluoro-4-methylphenyl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine;hydroiodide (PubChem CID 111844940) has the molecular formula C19H23FIN5 and a molecular weight of 467.33 g/mol. Its IUPAC name is 1-[(3-fluoro-4-methylphenyl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-[(3-fluoro-4-methylphenyl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine;hydroiodide
PubChem CID111844940
Molecular FormulaC19H23FIN5
Molecular Weight467.33 g/mol
Exact Mass467.10
IUPAC Name1-[(3-fluoro-4-methylphenyl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine;hydroiodide
SMILESC/N=C(/NCCc1cn2ccccc2n1)NCc1ccc(C)c(F)c1.I
InChIInChI=1S/C19H22FN5.HI/c1-14-6-7-15(11-17(14)20)12-23-19(21-2)22-9-8-16-13-25-10-4-3-5-18(25)24-16;/h3-7,10-11,13H,8-9,12H2,1-2H3,(H2,21,22,23);1H
InChIKeyMDBVAWUFQJTIIK-UHFFFAOYSA-N
XLogP3.31
TPSA53.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.33
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(4-fluorophenyl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine
CID 111232571
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-3-[(3-methylphenyl)methyl]guanidine;hydroiodide
CID 111900088
1-benzyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine;hydroiodide
CID 110954059
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-3-[(3-methylphenyl)methyl]guanidine
CID 111900089
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dimethylguanidine;hydroiodide
CID 110914604
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
CID 99845838
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-3-prop-2-ynylguanidine;hydroiodide
CID 119148965
1-[2-(3,4-diethoxyphenyl)ethyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine;hydroiodide
CID 111246170
1-[(3-fluoro-4-methylphenyl)methyl]-2-methyl-3-(2-phenylethyl)guanidine
CID 111135631
1-[2-(2-chlorophenyl)ethyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine
CID 111882473
1-[(3-fluoro-4-methylphenyl)methyl]-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylguanidine
CID 111845551

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-4-methylphenyl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine;hydroiodide?
The IUPAC name of 1-[(3-fluoro-4-methylphenyl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine;hydroiodide (CID 111844940) is 1-[(3-fluoro-4-methylphenyl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-[(3-fluoro-4-methylphenyl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-[(3-fluoro-4-methylphenyl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine;hydroiodide is C/N=C(/NCCc1cn2ccccc2n1)NCc1ccc(C)c(F)c1.I.
What is the InChIKey of 1-[(3-fluoro-4-methylphenyl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine;hydroiodide?
The InChIKey is MDBVAWUFQJTIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5.HI/c1-14-6-7-15(11-17(14)20)12-23-19(21-2)22-9-8-16-13-25-10-4-3-5-18(25)24-16;/h3-7,10-11,13H,8-9,12H2,1-2H3,(H2,21,22,23);1H.
What are the key properties of 1-[(3-fluoro-4-methylphenyl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine;hydroiodide?
1-[(3-fluoro-4-methylphenyl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine;hydroiodide has a molecular weight of 467.33 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluoro-4-methylphenyl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine;hydroiodide is sourced from PubChem (CID 111844940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).