1-[(3-fluorophenyl)methyl]-3-(1H-indol-2-ylmethyl)-2-methylguanidine;hydroiodide

C18H20FIN4 — CID 111877154

IUPAC1-[(3-fluorophenyl)methyl]-3-(1H-indol-2-ylmethyl)-2-methylguanidine;hydroiodide
SMILESC/N=C(\NCc1cccc(F)c1)NCc1cc2ccccc2[nH]1.I
InChIInChI=1S/C18H19FN4.HI/c1-20-18(21-11-13-5-4-7-15(19)9-13)22-12-16-10-14-6-2-3-8-17(14)23-16;/h2-10,23H,11-12H2,1H3,(H2,20,21,22);1H
InChIKeyRHGLGIGIJOTKQE-UHFFFAOYSA-N
MW438.29 g/mol
LogP3.79
Rot. Bonds4

About 1-[(3-fluorophenyl)methyl]-3-(1H-indol-2-ylmethyl)-2-methylguanidine;hydroiodide

1-[(3-fluorophenyl)methyl]-3-(1H-indol-2-ylmethyl)-2-methylguanidine;hydroiodide (PubChem CID 111877154) has the molecular formula C18H20FIN4 and a molecular weight of 438.29 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-3-(1H-indol-2-ylmethyl)-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-3-(1H-indol-2-ylmethyl)-2-methylguanidine;hydroiodide
PubChem CID111877154
Molecular FormulaC18H20FIN4
Molecular Weight438.29 g/mol
Exact Mass438.07
IUPAC Name1-[(3-fluorophenyl)methyl]-3-(1H-indol-2-ylmethyl)-2-methylguanidine;hydroiodide
SMILESC/N=C(\NCc1cccc(F)c1)NCc1cc2ccccc2[nH]1.I
InChIInChI=1S/C18H19FN4.HI/c1-20-18(21-11-13-5-4-7-15(19)9-13)22-12-16-10-14-6-2-3-8-17(14)23-16;/h2-10,23H,11-12H2,1H3,(H2,20,21,22);1H
InChIKeyRHGLGIGIJOTKQE-UHFFFAOYSA-N
XLogP3.79
TPSA52.21 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.29
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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-fluorophenyl)methyl]-3-(1H-indol-2-ylmethyl)-2-methylguanidine;hydroiodide
CID 111265302
1-benzyl-3-[(3-fluorophenyl)methyl]-2-methylguanidine;hydroiodide
CID 110954919
1-(1H-indol-2-ylmethyl)-2-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]guanidine
CID 111421271
1-(1H-indol-2-ylmethyl)-2-methyl-3-(2-phenylethyl)guanidine
CID 111136371
1-(1H-indol-2-ylmethyl)-2,3-dimethylguanidine
CID 47091801
1-(1H-indol-2-ylmethyl)-2-methyl-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111871714
1-(1,3-benzodioxol-5-ylmethyl)-3-(1H-indol-2-ylmethyl)-2-methylguanidine
CID 111844765
1-(1H-indol-2-ylmethyl)-2-methyl-3-[2-[4-(trifluoromethyl)phenyl]ethyl]guanidine;hydroiodide
CID 111295472
1-[2-(3-fluorophenyl)ethyl]-3-[(3-fluorophenyl)methyl]-2-methylguanidine;hydroiodide
CID 111394826
1-(1H-indol-2-ylmethyl)-2-methyl-3-pentylguanidine
CID 111130538
1-[(3-fluorophenyl)methyl]-2-methyl-3-(1H-pyrazol-5-ylmethyl)guanidine
CID 111877893
1-[(3-fluorophenyl)methyl]-2-methyl-3-[(3-methylphenyl)methyl]guanidine
CID 111877635

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-3-(1H-indol-2-ylmethyl)-2-methylguanidine;hydroiodide?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-3-(1H-indol-2-ylmethyl)-2-methylguanidine;hydroiodide (CID 111877154) is 1-[(3-fluorophenyl)methyl]-3-(1H-indol-2-ylmethyl)-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-3-(1H-indol-2-ylmethyl)-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-3-(1H-indol-2-ylmethyl)-2-methylguanidine;hydroiodide is C/N=C(\NCc1cccc(F)c1)NCc1cc2ccccc2[nH]1.I.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-3-(1H-indol-2-ylmethyl)-2-methylguanidine;hydroiodide?
The InChIKey is RHGLGIGIJOTKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4.HI/c1-20-18(21-11-13-5-4-7-15(19)9-13)22-12-16-10-14-6-2-3-8-17(14)23-16;/h2-10,23H,11-12H2,1H3,(H2,20,21,22);1H.
What are the key properties of 1-[(3-fluorophenyl)methyl]-3-(1H-indol-2-ylmethyl)-2-methylguanidine;hydroiodide?
1-[(3-fluorophenyl)methyl]-3-(1H-indol-2-ylmethyl)-2-methylguanidine;hydroiodide has a molecular weight of 438.29 g/mol, XLogP of 3.79, 4 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-3-(1H-indol-2-ylmethyl)-2-methylguanidine;hydroiodide is sourced from PubChem (CID 111877154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).