5-(2,4-dichloro-5-fluorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine

C13H14Cl2FN3 — CID 79496902

IUPAC5-(2,4-dichloro-5-fluorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine
SMILESC=CCN1C(N)=NCC1(C)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C13H14Cl2FN3/c1-3-4-19-12(17)18-7-13(19,2)8-5-11(16)10(15)6-9(8)14/h3,5-6H,1,4,7H2,2H3,(H2,17,18)
InChIKeySCPIYXSLQOJIES-UHFFFAOYSA-N
MW302.18 g/mol
LogP3.16
Rot. Bonds3

About 5-(2,4-dichloro-5-fluorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine

5-(2,4-dichloro-5-fluorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine (PubChem CID 79496902) has the molecular formula C13H14Cl2FN3 and a molecular weight of 302.18 g/mol. Its IUPAC name is 5-(2,4-dichloro-5-fluorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine.

Molecular Properties

Compound Name5-(2,4-dichloro-5-fluorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine
PubChem CID79496902
Molecular FormulaC13H14Cl2FN3
Molecular Weight302.18 g/mol
Exact Mass301.05
IUPAC Name5-(2,4-dichloro-5-fluorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine
SMILESC=CCN1C(N)=NCC1(C)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C13H14Cl2FN3/c1-3-4-19-12(17)18-7-13(19,2)8-5-11(16)10(15)6-9(8)14/h3,5-6H,1,4,7H2,2H3,(H2,17,18)
InChIKeySCPIYXSLQOJIES-UHFFFAOYSA-N
XLogP3.16
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.18
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichloro-5-fluorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine?
The IUPAC name of 5-(2,4-dichloro-5-fluorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine (CID 79496902) is 5-(2,4-dichloro-5-fluorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine.
What is the SMILES notation for 5-(2,4-dichloro-5-fluorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine?
The canonical SMILES for 5-(2,4-dichloro-5-fluorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine is C=CCN1C(N)=NCC1(C)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of 5-(2,4-dichloro-5-fluorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine?
The InChIKey is SCPIYXSLQOJIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2FN3/c1-3-4-19-12(17)18-7-13(19,2)8-5-11(16)10(15)6-9(8)14/h3,5-6H,1,4,7H2,2H3,(H2,17,18).
What are the key properties of 5-(2,4-dichloro-5-fluorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine?
5-(2,4-dichloro-5-fluorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine has a molecular weight of 302.18 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichloro-5-fluorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine is sourced from PubChem (CID 79496902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).