[2-[(3-fluorophenyl)methyl]-1H-imidazol-5-yl]methanamine

C11H12FN3 — CID 63108978

IUPAC[2-[(3-fluorophenyl)methyl]-1H-imidazol-5-yl]methanamine
SMILESNCc1cnc(Cc2cccc(F)c2)[nH]1
InChIInChI=1S/C11H12FN3/c12-9-3-1-2-8(4-9)5-11-14-7-10(6-13)15-11/h1-4,7H,5-6,13H2,(H,14,15)
InChIKeyUNKKFWCUACPWBU-UHFFFAOYSA-N
MW205.24 g/mol
LogP1.60
Rot. Bonds3

About [2-[(3-fluorophenyl)methyl]-1H-imidazol-5-yl]methanamine

[2-[(3-fluorophenyl)methyl]-1H-imidazol-5-yl]methanamine (PubChem CID 63108978) has the molecular formula C11H12FN3 and a molecular weight of 205.24 g/mol. Its IUPAC name is [2-[(3-fluorophenyl)methyl]-1H-imidazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-[(3-fluorophenyl)methyl]-1H-imidazol-5-yl]methanamine
PubChem CID63108978
Molecular FormulaC11H12FN3
Molecular Weight205.24 g/mol
Exact Mass205.10
IUPAC Name[2-[(3-fluorophenyl)methyl]-1H-imidazol-5-yl]methanamine
SMILESNCc1cnc(Cc2cccc(F)c2)[nH]1
InChIInChI=1S/C11H12FN3/c12-9-3-1-2-8(4-9)5-11-14-7-10(6-13)15-11/h1-4,7H,5-6,13H2,(H,14,15)
InChIKeyUNKKFWCUACPWBU-UHFFFAOYSA-N
XLogP1.60
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(chloromethyl)-2-[(3-fluorophenyl)methyl]-1H-imidazole
CID 63108845
N-[[2-[(3-fluorophenyl)methyl]-1H-imidazol-5-yl]methyl]propan-2-amine
CID 55178056
[2-[(2,4-difluorophenyl)methyl]-1H-imidazol-5-yl]methanamine
CID 64558732
[2-[(3-fluorophenyl)sulfanylmethyl]-1H-imidazol-5-yl]methanamine
CID 66072743
2-[(3-fluorophenyl)methyl]-1H-imidazole-5-carboxylic acid
CID 62251169
[2-(aminomethyl)-1H-imidazol-5-yl]methanamine
CID 54546826
1-(3-fluorophenyl)-N-[(5-methyl-1H-imidazol-2-yl)methyl]methanamine
CID 46784765
[5-(3-fluorophenyl)-1H-imidazol-2-yl]methanamine;hydrochloride
CID 157070146
5-[(3-fluorophenyl)methyl]-1H-imidazole;hydrochloride
CID 122163567
3-[2-[(3-fluorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-2-methylpropan-1-amine
CID 65294050
[1-[(3-fluorophenyl)methyl]-5-methylpyrazol-4-yl]methanamine
CID 63278587
[2-(4-fluorophenyl)-1H-imidazol-5-yl]methanamine
CID 63108865

Frequently Asked Questions

What is the IUPAC name of [2-[(3-fluorophenyl)methyl]-1H-imidazol-5-yl]methanamine?
The IUPAC name of [2-[(3-fluorophenyl)methyl]-1H-imidazol-5-yl]methanamine (CID 63108978) is [2-[(3-fluorophenyl)methyl]-1H-imidazol-5-yl]methanamine.
What is the SMILES notation for [2-[(3-fluorophenyl)methyl]-1H-imidazol-5-yl]methanamine?
The canonical SMILES for [2-[(3-fluorophenyl)methyl]-1H-imidazol-5-yl]methanamine is NCc1cnc(Cc2cccc(F)c2)[nH]1.
What is the InChIKey of [2-[(3-fluorophenyl)methyl]-1H-imidazol-5-yl]methanamine?
The InChIKey is UNKKFWCUACPWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3/c12-9-3-1-2-8(4-9)5-11-14-7-10(6-13)15-11/h1-4,7H,5-6,13H2,(H,14,15).
What are the key properties of [2-[(3-fluorophenyl)methyl]-1H-imidazol-5-yl]methanamine?
[2-[(3-fluorophenyl)methyl]-1H-imidazol-5-yl]methanamine has a molecular weight of 205.24 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-fluorophenyl)methyl]-1H-imidazol-5-yl]methanamine is sourced from PubChem (CID 63108978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).