[2-[(3,4-difluorophenoxy)methyl]-1H-imidazol-5-yl]methanamine

C11H11F2N3O — CID 82292430

IUPAC[2-[(3,4-difluorophenoxy)methyl]-1H-imidazol-5-yl]methanamine
SMILESNCc1cnc(COc2ccc(F)c(F)c2)[nH]1
InChIInChI=1S/C11H11F2N3O/c12-9-2-1-8(3-10(9)13)17-6-11-15-5-7(4-14)16-11/h1-3,5H,4,6,14H2,(H,15,16)
InChIKeyQGFPMZYWIXXYCF-UHFFFAOYSA-N
MW239.22 g/mol
LogP1.73
Rot. Bonds4

About [2-[(3,4-difluorophenoxy)methyl]-1H-imidazol-5-yl]methanamine

[2-[(3,4-difluorophenoxy)methyl]-1H-imidazol-5-yl]methanamine (PubChem CID 82292430) has the molecular formula C11H11F2N3O and a molecular weight of 239.22 g/mol. Its IUPAC name is [2-[(3,4-difluorophenoxy)methyl]-1H-imidazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-[(3,4-difluorophenoxy)methyl]-1H-imidazol-5-yl]methanamine
PubChem CID82292430
Molecular FormulaC11H11F2N3O
Molecular Weight239.22 g/mol
Exact Mass239.09
IUPAC Name[2-[(3,4-difluorophenoxy)methyl]-1H-imidazol-5-yl]methanamine
SMILESNCc1cnc(COc2ccc(F)c(F)c2)[nH]1
InChIInChI=1S/C11H11F2N3O/c12-9-2-1-8(3-10(9)13)17-6-11-15-5-7(4-14)16-11/h1-3,5H,4,6,14H2,(H,15,16)
InChIKeyQGFPMZYWIXXYCF-UHFFFAOYSA-N
XLogP1.73
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.22
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [2-[(3,4-difluorophenoxy)methyl]-1H-imidazol-5-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-[(4-chlorophenoxy)methyl]-1H-imidazol-5-yl]methanamine
CID 82292085
[2-[(4-chloro-3-methylphenoxy)methyl]-1H-imidazol-5-yl]methanamine
CID 82298036
[2-[(3,5-dichlorophenoxy)methyl]-1H-imidazol-5-yl]methanamine
CID 95474815
2-[2-[(2-fluorophenoxy)methyl]-1H-imidazol-5-yl]ethanamine
CID 95451026
[6-[(3,4-difluorophenoxy)methyl]-2-pyridinyl]methanamine
CID 106908225
[2-(aminomethyl)-1H-imidazol-5-yl]methanamine
CID 54546826
[2-[(2,5-dimethylphenoxy)methyl]-1H-imidazol-5-yl]methanamine
CID 82289277
[3-[(3,4-difluorophenoxy)methyl]phenyl]methanamine
CID 43554727
2-[2-[(2-chloro-4-fluorophenoxy)methyl]-1H-imidazol-5-yl]ethanamine
CID 95473112
[2-[(2,4-difluorophenyl)methyl]-1H-imidazol-5-yl]methanamine
CID 64558732
[4-[(3,4-difluorophenyl)methoxy]-2-fluorophenyl]methanamine
CID 82919254
[2-(propoxymethyl)-1H-imidazol-5-yl]methanamine
CID 63108990

Frequently Asked Questions

What is the IUPAC name of [2-[(3,4-difluorophenoxy)methyl]-1H-imidazol-5-yl]methanamine?
The IUPAC name of [2-[(3,4-difluorophenoxy)methyl]-1H-imidazol-5-yl]methanamine (CID 82292430) is [2-[(3,4-difluorophenoxy)methyl]-1H-imidazol-5-yl]methanamine.
What is the SMILES notation for [2-[(3,4-difluorophenoxy)methyl]-1H-imidazol-5-yl]methanamine?
The canonical SMILES for [2-[(3,4-difluorophenoxy)methyl]-1H-imidazol-5-yl]methanamine is NCc1cnc(COc2ccc(F)c(F)c2)[nH]1.
What is the InChIKey of [2-[(3,4-difluorophenoxy)methyl]-1H-imidazol-5-yl]methanamine?
The InChIKey is QGFPMZYWIXXYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O/c12-9-2-1-8(3-10(9)13)17-6-11-15-5-7(4-14)16-11/h1-3,5H,4,6,14H2,(H,15,16).
What are the key properties of [2-[(3,4-difluorophenoxy)methyl]-1H-imidazol-5-yl]methanamine?
[2-[(3,4-difluorophenoxy)methyl]-1H-imidazol-5-yl]methanamine has a molecular weight of 239.22 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,4-difluorophenoxy)methyl]-1H-imidazol-5-yl]methanamine is sourced from PubChem (CID 82292430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).