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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Related Compounds

1-[2-(2-fluorophenyl)ethyl]-N,4-dimethylimidazol-2-amine
CID 106557413
2-[1-[(2-fluorophenyl)methyl]-4-methylimidazol-2-yl]sulfanylacetic acid
CID 81336596
N,4-dimethyl-1-[(3-methylphenyl)methyl]imidazol-2-amine
CID 106563226
1-[(5-bromothiophen-2-yl)methyl]-N,4-dimethylimidazol-2-amine
CID 106575525
4-methyl-1-(naphthalen-1-ylmethyl)-N-propylimidazol-2-amine
CID 106571366
N-(2-methoxyethyl)-4-methyl-1-[(2-methylphenyl)methyl]imidazol-2-amine
CID 106563145
1-[1-[(2-fluorophenyl)methyl]-2-methylimidazol-4-yl]ethanamine
CID 114265923
N-butyl-1-[(2-chlorophenyl)methyl]-4-methylimidazol-2-amine
CID 106557065
1-[2-(3,5-difluorophenyl)ethyl]-N,4-dimethylimidazol-2-amine
CID 106570292
N,4-dimethyl-1-(1,3-thiazol-4-ylmethyl)imidazol-2-amine
CID 106572508
N,4-dimethyl-1-[3-(N-methylanilino)propyl]imidazol-2-amine
CID 106556643
5-[(2-fluorophenyl)methyl]-11,13-dimethyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-6-one
CID 40683073

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).