1-(4-chloro-3-fluorophenyl)-N,4-dimethylimidazol-2-amine

C11H11ClFN3 — CID 106567668

IUPAC1-(4-chloro-3-fluorophenyl)-N,4-dimethylimidazol-2-amine
SMILESCNc1nc(C)cn1-c1ccc(Cl)c(F)c1
InChIInChI=1S/C11H11ClFN3/c1-7-6-16(11(14-2)15-7)8-3-4-9(12)10(13)5-8/h3-6H,1-2H3,(H,14,15)
InChIKeyCWVBZOBMAYNWBB-UHFFFAOYSA-N
MW239.68 g/mol
LogP3.01
Rot. Bonds2

About 1-(4-chloro-3-fluorophenyl)-N,4-dimethylimidazol-2-amine

1-(4-chloro-3-fluorophenyl)-N,4-dimethylimidazol-2-amine (PubChem CID 106567668) has the molecular formula C11H11ClFN3 and a molecular weight of 239.68 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-N,4-dimethylimidazol-2-amine.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-N,4-dimethylimidazol-2-amine
PubChem CID106567668
Molecular FormulaC11H11ClFN3
Molecular Weight239.68 g/mol
Exact Mass239.06
IUPAC Name1-(4-chloro-3-fluorophenyl)-N,4-dimethylimidazol-2-amine
SMILESCNc1nc(C)cn1-c1ccc(Cl)c(F)c1
InChIInChI=1S/C11H11ClFN3/c1-7-6-16(11(14-2)15-7)8-3-4-9(12)10(13)5-8/h3-6H,1-2H3,(H,14,15)
InChIKeyCWVBZOBMAYNWBB-UHFFFAOYSA-N
XLogP3.01
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.68
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-3-fluorophenyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine
CID 106567700
1-(4-chlorophenyl)-N,4-dimethylimidazol-2-amine
CID 106558479
1-(3,5-dichloro-4-fluorophenyl)-N,4-dimethylimidazol-2-amine
CID 107581408
1-(3-chloro-5-fluorophenyl)-N,4-dimethylimidazol-2-amine
CID 107371340
1-[2-chloro-5-(trifluoromethyl)phenyl]-N,4-dimethylimidazol-2-amine
CID 106557943
N,4-dimethyl-1-(4-methylsulfonylphenyl)imidazol-2-amine
CID 106558108
1-(3-chloro-4-methylphenyl)-4-methyl-N-propan-2-ylimidazol-2-amine
CID 106555482
1-(3-chloro-4-methylphenyl)-4-methyl-N-propylimidazol-2-amine
CID 106555469
1-(2-bromo-4-fluorophenyl)-N,4-dimethylimidazol-2-amine
CID 106560683
1-(3,4-difluorophenyl)-4-methylimidazol-2-amine
CID 106558202
3-(4-chloro-3-fluorophenyl)-5-methyl-1H-imidazole-2-thione
CID 81334555
1-(4-ethoxy-3-fluorophenyl)-4-methyl-N-propan-2-ylimidazol-2-amine
CID 106579932

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-N,4-dimethylimidazol-2-amine?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-N,4-dimethylimidazol-2-amine (CID 106567668) is 1-(4-chloro-3-fluorophenyl)-N,4-dimethylimidazol-2-amine.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-N,4-dimethylimidazol-2-amine?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-N,4-dimethylimidazol-2-amine is CNc1nc(C)cn1-c1ccc(Cl)c(F)c1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-N,4-dimethylimidazol-2-amine?
The InChIKey is CWVBZOBMAYNWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3/c1-7-6-16(11(14-2)15-7)8-3-4-9(12)10(13)5-8/h3-6H,1-2H3,(H,14,15).
What are the key properties of 1-(4-chloro-3-fluorophenyl)-N,4-dimethylimidazol-2-amine?
1-(4-chloro-3-fluorophenyl)-N,4-dimethylimidazol-2-amine has a molecular weight of 239.68 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-N,4-dimethylimidazol-2-amine is sourced from PubChem (CID 106567668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).