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

C11H10Cl2FN3 — CID 107581408

IUPAC1-(3,5-dichloro-4-fluorophenyl)-N,4-dimethylimidazol-2-amine
SMILESCNc1nc(C)cn1-c1cc(Cl)c(F)c(Cl)c1
InChIInChI=1S/C11H10Cl2FN3/c1-6-5-17(11(15-2)16-6)7-3-8(12)10(14)9(13)4-7/h3-5H,1-2H3,(H,15,16)
InChIKeyQXKZGEVDLYTDIV-UHFFFAOYSA-N
MW274.13 g/mol
LogP3.67
Rot. Bonds2

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

1-(3,5-dichloro-4-fluorophenyl)-N,4-dimethylimidazol-2-amine (PubChem CID 107581408) has the molecular formula C11H10Cl2FN3 and a molecular weight of 274.13 g/mol. Its IUPAC name is 1-(3,5-dichloro-4-fluorophenyl)-N,4-dimethylimidazol-2-amine.

Molecular Properties

Compound Name1-(3,5-dichloro-4-fluorophenyl)-N,4-dimethylimidazol-2-amine
PubChem CID107581408
Molecular FormulaC11H10Cl2FN3
Molecular Weight274.13 g/mol
Exact Mass273.02
IUPAC Name1-(3,5-dichloro-4-fluorophenyl)-N,4-dimethylimidazol-2-amine
SMILESCNc1nc(C)cn1-c1cc(Cl)c(F)c(Cl)c1
InChIInChI=1S/C11H10Cl2FN3/c1-6-5-17(11(15-2)16-6)7-3-8(12)10(14)9(13)4-7/h3-5H,1-2H3,(H,15,16)
InChIKeyQXKZGEVDLYTDIV-UHFFFAOYSA-N
XLogP3.67
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.13
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(3-chloro-5-fluorophenyl)-N,4-dimethylimidazol-2-amine
CID 107371340
1-(4-chloro-3-fluorophenyl)-N,4-dimethylimidazol-2-amine
CID 106567668
N-cyclopentyl-1-(3,5-dichloro-4-fluorophenyl)-4-methylimidazol-2-amine
CID 107581397
1-(4-chlorophenyl)-N,4-dimethylimidazol-2-amine
CID 106558479
1-[2-chloro-5-(trifluoromethyl)phenyl]-N,4-dimethylimidazol-2-amine
CID 106557943
1-(2-bromo-4-fluorophenyl)-N,4-dimethylimidazol-2-amine
CID 106560683
1-(3-chloro-4-methylphenyl)-4-methyl-N-propan-2-ylimidazol-2-amine
CID 106555482
N,4-dimethyl-1-(4-methylsulfonylphenyl)imidazol-2-amine
CID 106558108
1-(3-chloro-4-methylphenyl)-4-methyl-N-propylimidazol-2-amine
CID 106555469
1-(3,5-difluorophenyl)-4-methyl-N-propylimidazol-2-amine
CID 106559729
1-(2,5-dimethylphenyl)-N,4-dimethylimidazol-2-amine
CID 106558212
1-(4-chloro-3-fluorophenyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine
CID 106567700

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-4-fluorophenyl)-N,4-dimethylimidazol-2-amine?
The IUPAC name of 1-(3,5-dichloro-4-fluorophenyl)-N,4-dimethylimidazol-2-amine (CID 107581408) is 1-(3,5-dichloro-4-fluorophenyl)-N,4-dimethylimidazol-2-amine.
What is the SMILES notation for 1-(3,5-dichloro-4-fluorophenyl)-N,4-dimethylimidazol-2-amine?
The canonical SMILES for 1-(3,5-dichloro-4-fluorophenyl)-N,4-dimethylimidazol-2-amine is CNc1nc(C)cn1-c1cc(Cl)c(F)c(Cl)c1.
What is the InChIKey of 1-(3,5-dichloro-4-fluorophenyl)-N,4-dimethylimidazol-2-amine?
The InChIKey is QXKZGEVDLYTDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2FN3/c1-6-5-17(11(15-2)16-6)7-3-8(12)10(14)9(13)4-7/h3-5H,1-2H3,(H,15,16).
What are the key properties of 1-(3,5-dichloro-4-fluorophenyl)-N,4-dimethylimidazol-2-amine?
1-(3,5-dichloro-4-fluorophenyl)-N,4-dimethylimidazol-2-amine has a molecular weight of 274.13 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-4-fluorophenyl)-N,4-dimethylimidazol-2-amine is sourced from PubChem (CID 107581408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).