5-(2,4-dichloro-5-fluorophenyl)-5-methyl-1-propan-2-yl-4H-imidazol-2-amine

C13H16Cl2FN3 — CID 79496537

IUPAC5-(2,4-dichloro-5-fluorophenyl)-5-methyl-1-propan-2-yl-4H-imidazol-2-amine
SMILESCC(C)N1C(N)=NCC1(C)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C13H16Cl2FN3/c1-7(2)19-12(17)18-6-13(19,3)8-4-11(16)10(15)5-9(8)14/h4-5,7H,6H2,1-3H3,(H2,17,18)
InChIKeyDWIVJEZRGZKYPP-UHFFFAOYSA-N
MW304.20 g/mol
LogP3.39
Rot. Bonds2

About 5-(2,4-dichloro-5-fluorophenyl)-5-methyl-1-propan-2-yl-4H-imidazol-2-amine

5-(2,4-dichloro-5-fluorophenyl)-5-methyl-1-propan-2-yl-4H-imidazol-2-amine (PubChem CID 79496537) has the molecular formula C13H16Cl2FN3 and a molecular weight of 304.20 g/mol. Its IUPAC name is 5-(2,4-dichloro-5-fluorophenyl)-5-methyl-1-propan-2-yl-4H-imidazol-2-amine.

Molecular Properties

Compound Name5-(2,4-dichloro-5-fluorophenyl)-5-methyl-1-propan-2-yl-4H-imidazol-2-amine
PubChem CID79496537
Molecular FormulaC13H16Cl2FN3
Molecular Weight304.20 g/mol
Exact Mass303.07
IUPAC Name5-(2,4-dichloro-5-fluorophenyl)-5-methyl-1-propan-2-yl-4H-imidazol-2-amine
SMILESCC(C)N1C(N)=NCC1(C)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C13H16Cl2FN3/c1-7(2)19-12(17)18-6-13(19,3)8-4-11(16)10(15)5-9(8)14/h4-5,7H,6H2,1-3H3,(H2,17,18)
InChIKeyDWIVJEZRGZKYPP-UHFFFAOYSA-N
XLogP3.39
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.20
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', '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-propan-2-yl-4H-imidazol-2-amine?
The IUPAC name of 5-(2,4-dichloro-5-fluorophenyl)-5-methyl-1-propan-2-yl-4H-imidazol-2-amine (CID 79496537) is 5-(2,4-dichloro-5-fluorophenyl)-5-methyl-1-propan-2-yl-4H-imidazol-2-amine.
What is the SMILES notation for 5-(2,4-dichloro-5-fluorophenyl)-5-methyl-1-propan-2-yl-4H-imidazol-2-amine?
The canonical SMILES for 5-(2,4-dichloro-5-fluorophenyl)-5-methyl-1-propan-2-yl-4H-imidazol-2-amine is CC(C)N1C(N)=NCC1(C)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of 5-(2,4-dichloro-5-fluorophenyl)-5-methyl-1-propan-2-yl-4H-imidazol-2-amine?
The InChIKey is DWIVJEZRGZKYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2FN3/c1-7(2)19-12(17)18-6-13(19,3)8-4-11(16)10(15)5-9(8)14/h4-5,7H,6H2,1-3H3,(H2,17,18).
What are the key properties of 5-(2,4-dichloro-5-fluorophenyl)-5-methyl-1-propan-2-yl-4H-imidazol-2-amine?
5-(2,4-dichloro-5-fluorophenyl)-5-methyl-1-propan-2-yl-4H-imidazol-2-amine has a molecular weight of 304.20 g/mol, XLogP of 3.39, 2 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-propan-2-yl-4H-imidazol-2-amine is sourced from PubChem (CID 79496537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).