2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-phenylguanidine;hydroiodide

C12H14F2IN5 — CID 110918564

IUPAC2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-phenylguanidine;hydroiodide
SMILESI.N/C(=N\Cc1nccn1C(F)F)Nc1ccccc1
InChIInChI=1S/C12H13F2N5.HI/c13-11(14)19-7-6-16-10(19)8-17-12(15)18-9-4-2-1-3-5-9;/h1-7,11H,8H2,(H3,15,17,18);1H
InChIKeyDESCIJIPLNPVFE-UHFFFAOYSA-N
MW393.18 g/mol
LogP2.82
Rot. Bonds4

About 2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-phenylguanidine;hydroiodide

2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-phenylguanidine;hydroiodide (PubChem CID 110918564) has the molecular formula C12H14F2IN5 and a molecular weight of 393.18 g/mol. Its IUPAC name is 2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-phenylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-phenylguanidine;hydroiodide
PubChem CID110918564
Molecular FormulaC12H14F2IN5
Molecular Weight393.18 g/mol
Exact Mass393.03
IUPAC Name2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-phenylguanidine;hydroiodide
SMILESI.N/C(=N\Cc1nccn1C(F)F)Nc1ccccc1
InChIInChI=1S/C12H13F2N5.HI/c13-11(14)19-7-6-16-10(19)8-17-12(15)18-9-4-2-1-3-5-9;/h1-7,11H,8H2,(H3,15,17,18);1H
InChIKeyDESCIJIPLNPVFE-UHFFFAOYSA-N
XLogP2.82
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.18
LogP ≤ 52.82
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-butan-2-yl-2-[[1-(difluoromethyl)imidazol-2-yl]methyl]guanidine;hydroiodide
CID 110921032
2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(3,4-dihydro-2H-chromen-4-yl)guanidine
CID 119140964
2-[(1-benzylimidazol-2-yl)methyl]-1-(3-ethylphenyl)guanidine;hydroiodide
CID 111817135
2-[(1-benzylimidazol-2-yl)methyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111817145
2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(2,2-diphenylethyl)-3-ethylguanidine
CID 111357016
1-phenyl-2-(pyridin-4-ylmethyl)guanidine;hydroiodide
CID 110912451
1-phenyl-2-(pyridin-2-ylmethyl)guanidine
CID 62072214
1-(4-methylphenyl)-2-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide
CID 111911639
1-(4-methylphenyl)-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide
CID 111817983
2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxolan-2-ylmethyl)guanidine
CID 119120768
2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(3,3-diphenylpropyl)-3-ethylguanidine
CID 111233663
1-phenyl-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine
CID 110893192

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-phenylguanidine;hydroiodide?
The IUPAC name of 2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-phenylguanidine;hydroiodide (CID 110918564) is 2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-phenylguanidine;hydroiodide.
What is the SMILES notation for 2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-phenylguanidine;hydroiodide?
The canonical SMILES for 2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-phenylguanidine;hydroiodide is I.N/C(=N\Cc1nccn1C(F)F)Nc1ccccc1.
What is the InChIKey of 2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-phenylguanidine;hydroiodide?
The InChIKey is DESCIJIPLNPVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N5.HI/c13-11(14)19-7-6-16-10(19)8-17-12(15)18-9-4-2-1-3-5-9;/h1-7,11H,8H2,(H3,15,17,18);1H.
What are the key properties of 2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-phenylguanidine;hydroiodide?
2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-phenylguanidine;hydroiodide has a molecular weight of 393.18 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-phenylguanidine;hydroiodide is sourced from PubChem (CID 110918564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).