[1-[(2-fluorophenyl)methyl]imidazol-4-yl]methanamine

C11H12FN3 — CID 82282978

IUPAC[1-[(2-fluorophenyl)methyl]imidazol-4-yl]methanamine
SMILESNCc1cn(Cc2ccccc2F)cn1
InChIInChI=1S/C11H12FN3/c12-11-4-2-1-3-9(11)6-15-7-10(5-13)14-8-15/h1-4,7-8H,5-6,13H2
InChIKeyWLDBUMLGUIPEBX-UHFFFAOYSA-N
MW205.24 g/mol
LogP1.53
Rot. Bonds3

About [1-[(2-fluorophenyl)methyl]imidazol-4-yl]methanamine

[1-[(2-fluorophenyl)methyl]imidazol-4-yl]methanamine (PubChem CID 82282978) has the molecular formula C11H12FN3 and a molecular weight of 205.24 g/mol. Its IUPAC name is [1-[(2-fluorophenyl)methyl]imidazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[(2-fluorophenyl)methyl]imidazol-4-yl]methanamine
PubChem CID82282978
Molecular FormulaC11H12FN3
Molecular Weight205.24 g/mol
Exact Mass205.10
IUPAC Name[1-[(2-fluorophenyl)methyl]imidazol-4-yl]methanamine
SMILESNCc1cn(Cc2ccccc2F)cn1
InChIInChI=1S/C11H12FN3/c12-11-4-2-1-3-9(11)6-15-7-10(5-13)14-8-15/h1-4,7-8H,5-6,13H2
InChIKeyWLDBUMLGUIPEBX-UHFFFAOYSA-N
XLogP1.53
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-1-[(2-fluorophenyl)methyl]imidazole
CID 155366804
4-(chloromethyl)-1-[(2-fluorophenyl)methyl]imidazole
CID 106720825
(1-benzylimidazol-4-yl)methanamine
CID 82281097
[1-[(2-nitrophenyl)methyl]imidazol-4-yl]methanamine
CID 106718040
[1-[(4-fluoro-2-methylphenyl)methyl]imidazol-4-yl]methanamine
CID 106717979
[1-(2-fluorophenyl)imidazol-4-yl]methanamine
CID 82468834
[1-(pyridin-4-ylmethyl)imidazol-4-yl]methanamine
CID 82468655
1-(2-aminoethyl)-N-[(2-fluorophenyl)methyl]imidazole-4-carboxamide
CID 107495694
[1-[(2-chloro-4-methylphenyl)methyl]imidazol-4-yl]methanamine
CID 106865995
4-(bromomethyl)-1-[[2-(trifluoromethyl)phenyl]methyl]imidazole
CID 114204847
[1-(pyridin-4-ylmethyl)imidazol-4-yl]methanamine;hydrochloride
CID 131637694
3-[1-[2-(2-fluorophenyl)ethyl]imidazol-4-yl]propanoic acid
CID 98017221

Frequently Asked Questions

What is the IUPAC name of [1-[(2-fluorophenyl)methyl]imidazol-4-yl]methanamine?
The IUPAC name of [1-[(2-fluorophenyl)methyl]imidazol-4-yl]methanamine (CID 82282978) is [1-[(2-fluorophenyl)methyl]imidazol-4-yl]methanamine.
What is the SMILES notation for [1-[(2-fluorophenyl)methyl]imidazol-4-yl]methanamine?
The canonical SMILES for [1-[(2-fluorophenyl)methyl]imidazol-4-yl]methanamine is NCc1cn(Cc2ccccc2F)cn1.
What is the InChIKey of [1-[(2-fluorophenyl)methyl]imidazol-4-yl]methanamine?
The InChIKey is WLDBUMLGUIPEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3/c12-11-4-2-1-3-9(11)6-15-7-10(5-13)14-8-15/h1-4,7-8H,5-6,13H2.
What are the key properties of [1-[(2-fluorophenyl)methyl]imidazol-4-yl]methanamine?
[1-[(2-fluorophenyl)methyl]imidazol-4-yl]methanamine has a molecular weight of 205.24 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-fluorophenyl)methyl]imidazol-4-yl]methanamine is sourced from PubChem (CID 82282978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).