1-[(3-fluorophenyl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1,2-dimethylguanidine;hydroiodide

C19H23FIN5 — CID 111285920

IUPAC1-[(3-fluorophenyl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1,2-dimethylguanidine;hydroiodide
SMILESC/N=C(/NCCc1cn2ccccc2n1)N(C)Cc1cccc(F)c1.I
InChIInChI=1S/C19H22FN5.HI/c1-21-19(24(2)13-15-6-5-7-16(20)12-15)22-10-9-17-14-25-11-4-3-8-18(25)23-17;/h3-8,11-12,14H,9-10,13H2,1-2H3,(H,21,22);1H
InChIKeySEAWXHYMEROCSL-UHFFFAOYSA-N
MW467.33 g/mol
LogP3.34
Rot. Bonds5

About 1-[(3-fluorophenyl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1,2-dimethylguanidine;hydroiodide

1-[(3-fluorophenyl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1,2-dimethylguanidine;hydroiodide (PubChem CID 111285920) has the molecular formula C19H23FIN5 and a molecular weight of 467.33 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1,2-dimethylguanidine;hydroiodide.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1,2-dimethylguanidine;hydroiodide
PubChem CID111285920
Molecular FormulaC19H23FIN5
Molecular Weight467.33 g/mol
Exact Mass467.10
IUPAC Name1-[(3-fluorophenyl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1,2-dimethylguanidine;hydroiodide
SMILESC/N=C(/NCCc1cn2ccccc2n1)N(C)Cc1cccc(F)c1.I
InChIInChI=1S/C19H22FN5.HI/c1-21-19(24(2)13-15-6-5-7-16(20)12-15)22-10-9-17-14-25-11-4-3-8-18(25)23-17;/h3-8,11-12,14H,9-10,13H2,1-2H3,(H,21,22);1H
InChIKeySEAWXHYMEROCSL-UHFFFAOYSA-N
XLogP3.34
TPSA44.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.33
LogP ≤ 53.34
H-Bond Donors ≤ 51
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

3-[2-(3-fluorophenyl)ethyl]-1-[(3-fluorophenyl)methyl]-1,2-dimethylguanidine
CID 111286469
1-[(3-fluorophenyl)methyl]-1,2-dimethyl-3-[2-(1-methylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 111286428
1-[2-(3-fluorophenoxy)propyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine;hydroiodide
CID 111681281
1-[(3-fluorophenyl)methyl]-1,2-dimethyl-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]guanidine;hydroiodide
CID 111285722
1-benzyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine;hydroiodide
CID 110954059
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-[(3-fluorophenyl)methyl]-1,2-dimethyl-3-pentylguanidine
CID 111285287
3-[7-(dimethylamino)heptyl]-1-[(3-fluorophenyl)methyl]-1,2-dimethylguanidine;hydroiodide
CID 111285230
1-[2-(3-fluorophenoxy)butyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine;hydroiodide
CID 109475248
methyl 4-[2-[[N-[(3-fluorophenyl)methyl]-N,N'-dimethylcarbamimidoyl]amino]ethyl]benzoate;hydroiodide
CID 111285788
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-3-[(3-methylphenyl)methyl]guanidine
CID 111900089

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1,2-dimethylguanidine;hydroiodide?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1,2-dimethylguanidine;hydroiodide (CID 111285920) is 1-[(3-fluorophenyl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1,2-dimethylguanidine;hydroiodide.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1,2-dimethylguanidine;hydroiodide?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1,2-dimethylguanidine;hydroiodide is C/N=C(/NCCc1cn2ccccc2n1)N(C)Cc1cccc(F)c1.I.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1,2-dimethylguanidine;hydroiodide?
The InChIKey is SEAWXHYMEROCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5.HI/c1-21-19(24(2)13-15-6-5-7-16(20)12-15)22-10-9-17-14-25-11-4-3-8-18(25)23-17;/h3-8,11-12,14H,9-10,13H2,1-2H3,(H,21,22);1H.
What are the key properties of 1-[(3-fluorophenyl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1,2-dimethylguanidine;hydroiodide?
1-[(3-fluorophenyl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1,2-dimethylguanidine;hydroiodide has a molecular weight of 467.33 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1,2-dimethylguanidine;hydroiodide is sourced from PubChem (CID 111285920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).