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

C9H6Cl2FN3 — CID 107581374

IUPACN-(3,5-dichloro-4-fluorophenyl)-1H-imidazol-2-amine
SMILESFc1c(Cl)cc(Nc2ncc[nH]2)cc1Cl
InChIInChI=1S/C9H6Cl2FN3/c10-6-3-5(4-7(11)8(6)12)15-9-13-1-2-14-9/h1-4H,(H2,13,14,15)
InChIKeySDLDDBZTBYWNEO-UHFFFAOYSA-N
MW246.07 g/mol
LogP3.60
Rot. Bonds2

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

N-(3,5-dichloro-4-fluorophenyl)-1H-imidazol-2-amine (PubChem CID 107581374) has the molecular formula C9H6Cl2FN3 and a molecular weight of 246.07 g/mol. Its IUPAC name is N-(3,5-dichloro-4-fluorophenyl)-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-(3,5-dichloro-4-fluorophenyl)-1H-imidazol-2-amine
PubChem CID107581374
Molecular FormulaC9H6Cl2FN3
Molecular Weight246.07 g/mol
Exact Mass244.99
IUPAC NameN-(3,5-dichloro-4-fluorophenyl)-1H-imidazol-2-amine
SMILESFc1c(Cl)cc(Nc2ncc[nH]2)cc1Cl
InChIInChI=1S/C9H6Cl2FN3/c10-6-3-5(4-7(11)8(6)12)15-9-13-1-2-14-9/h1-4H,(H2,13,14,15)
InChIKeySDLDDBZTBYWNEO-UHFFFAOYSA-N
XLogP3.60
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.07
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluorophenyl)-1H-imidazol-2-amine
CID 83695842
N-(3-bromo-4-chlorophenyl)-1H-imidazol-2-amine
CID 106576619
N-(2,5-dichloro-4-methylphenyl)-1H-imidazol-2-amine
CID 106580607
5-chloro-4-N-(3,5-dichloro-4-fluorophenyl)pyrimidine-4,6-diamine
CID 114049905
N-(3,5-dichloro-4-fluorophenyl)-5-iodopyrimidin-4-amine
CID 107577807
N-(3-iodophenyl)-1H-imidazol-2-amine
CID 106554225
N-(2-fluoro-5-methylphenyl)-1H-imidazol-2-amine
CID 106561042
N-(4-fluoro-2-iodophenyl)-1H-imidazol-2-amine
CID 106576399
N-[4-(difluoromethoxy)phenyl]-1H-imidazol-2-amine
CID 106561142
N-(1H-imidazol-2-yl)-6-(trifluoromethyl)pyridin-3-amine
CID 106578677
N-(4-fluoro-2-methylphenyl)-1H-imidazol-2-amine
CID 106559677
N-(3,5-dichloro-4-fluorophenyl)-1-propylimidazol-2-amine
CID 107581375

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-fluorophenyl)-1H-imidazol-2-amine?
The IUPAC name of N-(3,5-dichloro-4-fluorophenyl)-1H-imidazol-2-amine (CID 107581374) is N-(3,5-dichloro-4-fluorophenyl)-1H-imidazol-2-amine.
What is the SMILES notation for N-(3,5-dichloro-4-fluorophenyl)-1H-imidazol-2-amine?
The canonical SMILES for N-(3,5-dichloro-4-fluorophenyl)-1H-imidazol-2-amine is Fc1c(Cl)cc(Nc2ncc[nH]2)cc1Cl.
What is the InChIKey of N-(3,5-dichloro-4-fluorophenyl)-1H-imidazol-2-amine?
The InChIKey is SDLDDBZTBYWNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2FN3/c10-6-3-5(4-7(11)8(6)12)15-9-13-1-2-14-9/h1-4H,(H2,13,14,15).
What are the key properties of N-(3,5-dichloro-4-fluorophenyl)-1H-imidazol-2-amine?
N-(3,5-dichloro-4-fluorophenyl)-1H-imidazol-2-amine has a molecular weight of 246.07 g/mol, XLogP of 3.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-fluorophenyl)-1H-imidazol-2-amine is sourced from PubChem (CID 107581374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).