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

C10H18F2IN5 — CID 110921032

IUPAC1-butan-2-yl-2-[[1-(difluoromethyl)imidazol-2-yl]methyl]guanidine;hydroiodide
SMILESCCC(C)N/C(N)=N/Cc1nccn1C(F)F.I
InChIInChI=1S/C10H17F2N5.HI/c1-3-7(2)16-10(13)15-6-8-14-4-5-17(8)9(11)12;/h4-5,7,9H,3,6H2,1-2H3,(H3,13,15,16);1H
InChIKeyORNWVVSTZHPRFV-UHFFFAOYSA-N
MW373.19 g/mol
LogP2.10
Rot. Bonds5

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

1-butan-2-yl-2-[[1-(difluoromethyl)imidazol-2-yl]methyl]guanidine;hydroiodide (PubChem CID 110921032) has the molecular formula C10H18F2IN5 and a molecular weight of 373.19 g/mol. Its IUPAC name is 1-butan-2-yl-2-[[1-(difluoromethyl)imidazol-2-yl]methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-butan-2-yl-2-[[1-(difluoromethyl)imidazol-2-yl]methyl]guanidine;hydroiodide
PubChem CID110921032
Molecular FormulaC10H18F2IN5
Molecular Weight373.19 g/mol
Exact Mass373.06
IUPAC Name1-butan-2-yl-2-[[1-(difluoromethyl)imidazol-2-yl]methyl]guanidine;hydroiodide
SMILESCCC(C)N/C(N)=N/Cc1nccn1C(F)F.I
InChIInChI=1S/C10H17F2N5.HI/c1-3-7(2)16-10(13)15-6-8-14-4-5-17(8)9(11)12;/h4-5,7,9H,3,6H2,1-2H3,(H3,13,15,16);1H
InChIKeyORNWVVSTZHPRFV-UHFFFAOYSA-N
XLogP2.10
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.19
LogP ≤ 52.10
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]-3-ethylguanidine
CID 110944014
2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-phenylguanidine;hydroiodide
CID 110918564
2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]guanidine
CID 111088587
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]butan-2-amine
CID 43111973
2-[[4-[[[amino-(butan-2-ylamino)methylidene]amino]methyl]phenyl]methyl]-1-butan-2-ylguanidine;hydroiodide
CID 110062304
2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-ethyl-3-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111021166
2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-1-propan-2-ylguanidine;hydroiodide
CID 111817931
2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxolan-2-ylmethyl)guanidine
CID 119120768
1-cyclohexyl-2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-ethylguanidine;hydroiodide
CID 110957619
2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(2,2-diphenylethyl)-3-ethylguanidine
CID 111357016
1-butan-2-yl-2-[(2-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide
CID 110920420
2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-ethyl-3-(4-methylcyclohexyl)guanidine;hydroiodide
CID 111256010

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-2-[[1-(difluoromethyl)imidazol-2-yl]methyl]guanidine;hydroiodide?
The IUPAC name of 1-butan-2-yl-2-[[1-(difluoromethyl)imidazol-2-yl]methyl]guanidine;hydroiodide (CID 110921032) is 1-butan-2-yl-2-[[1-(difluoromethyl)imidazol-2-yl]methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-butan-2-yl-2-[[1-(difluoromethyl)imidazol-2-yl]methyl]guanidine;hydroiodide?
The canonical SMILES for 1-butan-2-yl-2-[[1-(difluoromethyl)imidazol-2-yl]methyl]guanidine;hydroiodide is CCC(C)N/C(N)=N/Cc1nccn1C(F)F.I.
What is the InChIKey of 1-butan-2-yl-2-[[1-(difluoromethyl)imidazol-2-yl]methyl]guanidine;hydroiodide?
The InChIKey is ORNWVVSTZHPRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N5.HI/c1-3-7(2)16-10(13)15-6-8-14-4-5-17(8)9(11)12;/h4-5,7,9H,3,6H2,1-2H3,(H3,13,15,16);1H.
What are the key properties of 1-butan-2-yl-2-[[1-(difluoromethyl)imidazol-2-yl]methyl]guanidine;hydroiodide?
1-butan-2-yl-2-[[1-(difluoromethyl)imidazol-2-yl]methyl]guanidine;hydroiodide has a molecular weight of 373.19 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-2-[[1-(difluoromethyl)imidazol-2-yl]methyl]guanidine;hydroiodide is sourced from PubChem (CID 110921032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).