N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxan-4-yl)methanamine

C11H17F2N3O — CID 55226430

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxan-4-yl)methanamine
SMILESFC(F)n1ccnc1CNCC1CCOCC1
InChIInChI=1S/C11H17F2N3O/c12-11(13)16-4-3-15-10(16)8-14-7-9-1-5-17-6-2-9/h3-4,9,11,14H,1-2,5-8H2
InChIKeyMRHLGDFDCGEOIS-UHFFFAOYSA-N
MW245.27 g/mol
LogP1.79
Rot. Bonds5

About N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxan-4-yl)methanamine

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxan-4-yl)methanamine (PubChem CID 55226430) has the molecular formula C11H17F2N3O and a molecular weight of 245.27 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxan-4-yl)methanamine.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxan-4-yl)methanamine
PubChem CID55226430
Molecular FormulaC11H17F2N3O
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxan-4-yl)methanamine
SMILESFC(F)n1ccnc1CNCC1CCOCC1
InChIInChI=1S/C11H17F2N3O/c12-11(13)16-4-3-15-10(16)8-14-7-9-1-5-17-6-2-9/h3-4,9,11,14H,1-2,5-8H2
InChIKeyMRHLGDFDCGEOIS-UHFFFAOYSA-N
XLogP1.79
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxan-4-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(oxan-4-yl)-1H-imidazole
CID 59198587
1-(Oxan-4-yl)-2-(trifluoromethyl)imidazole
CID 71665286
(1-methyl-1H-imidazol-2-yl)(oxan-4-yl)methanamine
CID 65334856
1-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-N-methyl-N-(tetrahydro-2H-pyran-4-ylmethyl)methanamine
CID 77096923
N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]oxan-4-amine
CID 124616644
2-Imidazol-1-yl-4-(piperidin-4-ylmethyl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine
CID 58039354
2-Tert-butyl-1-[(4-fluorooxan-4-yl)methyl]-4-iodoimidazole
CID 67456453
Tributyl-[2-tert-butyl-1-[(4-fluorooxan-4-yl)methyl]imidazol-4-yl]stannane
CID 67456837
4-[[2-(Trifluoromethyl)imidazol-1-yl]methyl]piperidine
CID 174287847
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-methylbutan-1-amine
CID 43088542
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-morpholin-4-ylethanamine
CID 43088545
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-methoxypropan-1-amine
CID 43090510

Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxan-4-yl)methanamine?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxan-4-yl)methanamine (CID 55226430) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxan-4-yl)methanamine.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxan-4-yl)methanamine?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxan-4-yl)methanamine is FC(F)n1ccnc1CNCC1CCOCC1.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxan-4-yl)methanamine?
The InChIKey is MRHLGDFDCGEOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3O/c12-11(13)16-4-3-15-10(16)8-14-7-9-1-5-17-6-2-9/h3-4,9,11,14H,1-2,5-8H2.
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxan-4-yl)methanamine?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxan-4-yl)methanamine has a molecular weight of 245.27 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxan-4-yl)methanamine is sourced from PubChem (CID 55226430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).