1-[(2-fluorophenyl)methyl]-N,4-dimethylimidazol-2-amine

C12H14FN3 — CID 106559102

IUPAC1-[(2-fluorophenyl)methyl]-N,4-dimethylimidazol-2-amine
SMILESCNc1nc(C)cn1Cc1ccccc1F
InChIInChI=1S/C12H14FN3/c1-9-7-16(12(14-2)15-9)8-10-5-3-4-6-11(10)13/h3-7H,8H2,1-2H3,(H,14,15)
InChIKeyHHHLCKJNNMBHJY-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.42
Rot. Bonds3

About 1-[(2-fluorophenyl)methyl]-N,4-dimethylimidazol-2-amine

1-[(2-fluorophenyl)methyl]-N,4-dimethylimidazol-2-amine (PubChem CID 106559102) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-N,4-dimethylimidazol-2-amine.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-N,4-dimethylimidazol-2-amine
PubChem CID106559102
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC Name1-[(2-fluorophenyl)methyl]-N,4-dimethylimidazol-2-amine
SMILESCNc1nc(C)cn1Cc1ccccc1F
InChIInChI=1S/C12H14FN3/c1-9-7-16(12(14-2)15-9)8-10-5-3-4-6-11(10)13/h3-7H,8H2,1-2H3,(H,14,15)
InChIKeyHHHLCKJNNMBHJY-UHFFFAOYSA-N
XLogP2.42
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-N,4-dimethylimidazol-2-amine?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-N,4-dimethylimidazol-2-amine (CID 106559102) is 1-[(2-fluorophenyl)methyl]-N,4-dimethylimidazol-2-amine.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-N,4-dimethylimidazol-2-amine?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-N,4-dimethylimidazol-2-amine is CNc1nc(C)cn1Cc1ccccc1F.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-N,4-dimethylimidazol-2-amine?
The InChIKey is HHHLCKJNNMBHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3/c1-9-7-16(12(14-2)15-9)8-10-5-3-4-6-11(10)13/h3-7H,8H2,1-2H3,(H,14,15).
What are the key properties of 1-[(2-fluorophenyl)methyl]-N,4-dimethylimidazol-2-amine?
1-[(2-fluorophenyl)methyl]-N,4-dimethylimidazol-2-amine has a molecular weight of 219.26 g/mol, XLogP of 2.42, 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]-N,4-dimethylimidazol-2-amine is sourced from PubChem (CID 106559102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).