1-(3-chloro-5-fluorophenyl)-N,4-dimethylimidazol-2-amine

C11H11ClFN3 — CID 107371340

IUPAC1-(3-chloro-5-fluorophenyl)-N,4-dimethylimidazol-2-amine
SMILESCNc1nc(C)cn1-c1cc(F)cc(Cl)c1
InChIInChI=1S/C11H11ClFN3/c1-7-6-16(11(14-2)15-7)10-4-8(12)3-9(13)5-10/h3-6H,1-2H3,(H,14,15)
InChIKeyDJAQOQGTKGBQOC-UHFFFAOYSA-N
MW239.68 g/mol
LogP3.01
Rot. Bonds2

About 1-(3-chloro-5-fluorophenyl)-N,4-dimethylimidazol-2-amine

1-(3-chloro-5-fluorophenyl)-N,4-dimethylimidazol-2-amine (PubChem CID 107371340) has the molecular formula C11H11ClFN3 and a molecular weight of 239.68 g/mol. Its IUPAC name is 1-(3-chloro-5-fluorophenyl)-N,4-dimethylimidazol-2-amine.

Molecular Properties

Compound Name1-(3-chloro-5-fluorophenyl)-N,4-dimethylimidazol-2-amine
PubChem CID107371340
Molecular FormulaC11H11ClFN3
Molecular Weight239.68 g/mol
Exact Mass239.06
IUPAC Name1-(3-chloro-5-fluorophenyl)-N,4-dimethylimidazol-2-amine
SMILESCNc1nc(C)cn1-c1cc(F)cc(Cl)c1
InChIInChI=1S/C11H11ClFN3/c1-7-6-16(11(14-2)15-7)10-4-8(12)3-9(13)5-10/h3-6H,1-2H3,(H,14,15)
InChIKeyDJAQOQGTKGBQOC-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-(3,5-dichloro-4-fluorophenyl)-N,4-dimethylimidazol-2-amine
CID 107581408
1-(4-chlorophenyl)-N,4-dimethylimidazol-2-amine
CID 106558479
1-(4-chloro-3-fluorophenyl)-N,4-dimethylimidazol-2-amine
CID 106567668
1-(3,5-difluorophenyl)-4-methyl-N-propylimidazol-2-amine
CID 106559729
1-(2-bromo-4-fluorophenyl)-N,4-dimethylimidazol-2-amine
CID 106560683
1-(3,5-dichlorophenyl)-4-methylimidazol-2-amine
CID 106557272
N,4-dimethyl-1-(4-methylsulfonylphenyl)imidazol-2-amine
CID 106558108
1-[2-(3,5-difluorophenyl)ethyl]-N,4-dimethylimidazol-2-amine
CID 106570292
1-(3-fluoro-5-methylphenyl)-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106576229
1-[2-chloro-5-(trifluoromethyl)phenyl]-N,4-dimethylimidazol-2-amine
CID 106557943
N-cyclopentyl-1-(3,5-dichloro-4-fluorophenyl)-4-methylimidazol-2-amine
CID 107581397
N-ethyl-1-(3-fluorophenyl)-4-methylimidazol-2-amine
CID 106558438

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-fluorophenyl)-N,4-dimethylimidazol-2-amine?
The IUPAC name of 1-(3-chloro-5-fluorophenyl)-N,4-dimethylimidazol-2-amine (CID 107371340) is 1-(3-chloro-5-fluorophenyl)-N,4-dimethylimidazol-2-amine.
What is the SMILES notation for 1-(3-chloro-5-fluorophenyl)-N,4-dimethylimidazol-2-amine?
The canonical SMILES for 1-(3-chloro-5-fluorophenyl)-N,4-dimethylimidazol-2-amine is CNc1nc(C)cn1-c1cc(F)cc(Cl)c1.
What is the InChIKey of 1-(3-chloro-5-fluorophenyl)-N,4-dimethylimidazol-2-amine?
The InChIKey is DJAQOQGTKGBQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3/c1-7-6-16(11(14-2)15-7)10-4-8(12)3-9(13)5-10/h3-6H,1-2H3,(H,14,15).
What are the key properties of 1-(3-chloro-5-fluorophenyl)-N,4-dimethylimidazol-2-amine?
1-(3-chloro-5-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-(3-chloro-5-fluorophenyl)-N,4-dimethylimidazol-2-amine is sourced from PubChem (CID 107371340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).