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

C12H12Cl2FN3 — CID 107581375

IUPACN-(3,5-dichloro-4-fluorophenyl)-1-propylimidazol-2-amine
SMILESCCCn1ccnc1Nc1cc(Cl)c(F)c(Cl)c1
InChIInChI=1S/C12H12Cl2FN3/c1-2-4-18-5-3-16-12(18)17-8-6-9(13)11(15)10(14)7-8/h3,5-7H,2,4H2,1H3,(H,16,17)
InChIKeyZOPDSUNHRYLYEX-UHFFFAOYSA-N
MW288.15 g/mol
LogP4.48
Rot. Bonds4

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

N-(3,5-dichloro-4-fluorophenyl)-1-propylimidazol-2-amine (PubChem CID 107581375) has the molecular formula C12H12Cl2FN3 and a molecular weight of 288.15 g/mol. Its IUPAC name is N-(3,5-dichloro-4-fluorophenyl)-1-propylimidazol-2-amine.

Molecular Properties

Compound NameN-(3,5-dichloro-4-fluorophenyl)-1-propylimidazol-2-amine
PubChem CID107581375
Molecular FormulaC12H12Cl2FN3
Molecular Weight288.15 g/mol
Exact Mass287.04
IUPAC NameN-(3,5-dichloro-4-fluorophenyl)-1-propylimidazol-2-amine
SMILESCCCn1ccnc1Nc1cc(Cl)c(F)c(Cl)c1
InChIInChI=1S/C12H12Cl2FN3/c1-2-4-18-5-3-16-12(18)17-8-6-9(13)11(15)10(14)7-8/h3,5-7H,2,4H2,1H3,(H,16,17)
InChIKeyZOPDSUNHRYLYEX-UHFFFAOYSA-N
XLogP4.48
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.15
LogP ≤ 54.48
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

N-(3-chloro-4-fluorophenyl)-1-propylimidazol-2-amine
CID 106554348
N-(3,4-dichlorophenyl)-1-propylimidazol-2-amine
CID 106557576
N-(3,5-dimethylphenyl)-1-propylimidazol-2-amine
CID 106559204
1-butyl-N-(3-chloro-4-fluorophenyl)imidazol-2-amine
CID 106554378
N-(2-chloro-5-fluorophenyl)-1-propylimidazol-2-amine
CID 107532048
N-(2-bromo-6-chloro-4-fluorophenyl)-1-butylimidazol-2-amine
CID 107618171
N-(4-bromo-3,5-dimethylphenyl)-1-butylimidazol-2-amine
CID 107581491
N-(4-bromo-3-chlorophenyl)-1-ethylimidazol-2-amine
CID 107618236
N-(2-bromo-6-fluorophenyl)-1-propylimidazol-2-amine
CID 107605154
1-methyl-N-(1-propylimidazol-2-yl)pyrazol-3-amine
CID 106562921
2-chloro-1-propylimidazole
CID 142765750
1-butyl-N-(4-propan-2-ylphenyl)imidazol-2-amine
CID 106557363

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-fluorophenyl)-1-propylimidazol-2-amine?
The IUPAC name of N-(3,5-dichloro-4-fluorophenyl)-1-propylimidazol-2-amine (CID 107581375) is N-(3,5-dichloro-4-fluorophenyl)-1-propylimidazol-2-amine.
What is the SMILES notation for N-(3,5-dichloro-4-fluorophenyl)-1-propylimidazol-2-amine?
The canonical SMILES for N-(3,5-dichloro-4-fluorophenyl)-1-propylimidazol-2-amine is CCCn1ccnc1Nc1cc(Cl)c(F)c(Cl)c1.
What is the InChIKey of N-(3,5-dichloro-4-fluorophenyl)-1-propylimidazol-2-amine?
The InChIKey is ZOPDSUNHRYLYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2FN3/c1-2-4-18-5-3-16-12(18)17-8-6-9(13)11(15)10(14)7-8/h3,5-7H,2,4H2,1H3,(H,16,17).
What are the key properties of N-(3,5-dichloro-4-fluorophenyl)-1-propylimidazol-2-amine?
N-(3,5-dichloro-4-fluorophenyl)-1-propylimidazol-2-amine has a molecular weight of 288.15 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-fluorophenyl)-1-propylimidazol-2-amine is sourced from PubChem (CID 107581375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).