2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxolan-2-ylmethyl)guanidine

C11H17F2N5O — CID 119120768

IUPAC2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxolan-2-ylmethyl)guanidine
SMILESN/C(=N\Cc1nccn1C(F)F)NCC1CCCO1
InChIInChI=1S/C11H17F2N5O/c12-10(13)18-4-3-15-9(18)7-17-11(14)16-6-8-2-1-5-19-8/h3-4,8,10H,1-2,5-7H2,(H3,14,16,17)
InChIKeyAQXZYGRIZYDCMZ-UHFFFAOYSA-N
MW273.29 g/mol
LogP0.86
Rot. Bonds5

About 2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxolan-2-ylmethyl)guanidine

2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxolan-2-ylmethyl)guanidine (PubChem CID 119120768) has the molecular formula C11H17F2N5O and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxolan-2-ylmethyl)guanidine.

Molecular Properties

Compound Name2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxolan-2-ylmethyl)guanidine
PubChem CID119120768
Molecular FormulaC11H17F2N5O
Molecular Weight273.29 g/mol
Exact Mass273.14
IUPAC Name2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxolan-2-ylmethyl)guanidine
SMILESN/C(=N\Cc1nccn1C(F)F)NCC1CCCO1
InChIInChI=1S/C11H17F2N5O/c12-10(13)18-4-3-15-9(18)7-17-11(14)16-6-8-2-1-5-19-8/h3-4,8,10H,1-2,5-7H2,(H3,14,16,17)
InChIKeyAQXZYGRIZYDCMZ-UHFFFAOYSA-N
XLogP0.86
TPSA77.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[(2-tert-butyloxan-3-yl)methyl]-2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-ethylguanidine
CID 111622904
2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(3,4-dihydro-2H-chromen-4-yl)guanidine
CID 119140964
2-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(oxolan-2-ylmethyl)guanidine
CID 119118452
2-[(4-methylphenyl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]guanidine
CID 95292400
2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-phenylguanidine;hydroiodide
CID 110918564
1-butan-2-yl-2-[[1-(difluoromethyl)imidazol-2-yl]methyl]guanidine;hydroiodide
CID 110921032
2-[(2,5-dimethylpyrazol-3-yl)methyl]-1-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 120913497
2-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-1-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 119147411
1-cyclohexyl-2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-ethylguanidine;hydroiodide
CID 110957619
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 110918021
1-(oxolan-2-ylmethyl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine;hydroiodide
CID 119121240
2-[(2-ethyl-5-methyltriazol-4-yl)methyl]-1-(oxolan-2-ylmethyl)guanidine
CID 122125639

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxolan-2-ylmethyl)guanidine?
The IUPAC name of 2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxolan-2-ylmethyl)guanidine (CID 119120768) is 2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxolan-2-ylmethyl)guanidine.
What is the SMILES notation for 2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxolan-2-ylmethyl)guanidine?
The canonical SMILES for 2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxolan-2-ylmethyl)guanidine is N/C(=N\Cc1nccn1C(F)F)NCC1CCCO1.
What is the InChIKey of 2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxolan-2-ylmethyl)guanidine?
The InChIKey is AQXZYGRIZYDCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N5O/c12-10(13)18-4-3-15-9(18)7-17-11(14)16-6-8-2-1-5-19-8/h3-4,8,10H,1-2,5-7H2,(H3,14,16,17).
What are the key properties of 2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxolan-2-ylmethyl)guanidine?
2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxolan-2-ylmethyl)guanidine has a molecular weight of 273.29 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxolan-2-ylmethyl)guanidine is sourced from PubChem (CID 119120768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).