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

C13H15Cl2N3 — CID 79498225

IUPAC5-(2,5-dichlorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine
SMILESC=CCN1C(N)=NCC1(C)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H15Cl2N3/c1-3-6-18-12(16)17-8-13(18,2)10-7-9(14)4-5-11(10)15/h3-5,7H,1,6,8H2,2H3,(H2,16,17)
InChIKeyTUWFFMBGVQVNHZ-UHFFFAOYSA-N
MW284.19 g/mol
LogP3.02
Rot. Bonds3

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

5-(2,5-dichlorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine (PubChem CID 79498225) has the molecular formula C13H15Cl2N3 and a molecular weight of 284.19 g/mol. Its IUPAC name is 5-(2,5-dichlorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine.

Molecular Properties

Compound Name5-(2,5-dichlorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine
PubChem CID79498225
Molecular FormulaC13H15Cl2N3
Molecular Weight284.19 g/mol
Exact Mass283.06
IUPAC Name5-(2,5-dichlorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine
SMILESC=CCN1C(N)=NCC1(C)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H15Cl2N3/c1-3-6-18-12(16)17-8-13(18,2)10-7-9(14)4-5-11(10)15/h3-5,7H,1,6,8H2,2H3,(H2,16,17)
InChIKeyTUWFFMBGVQVNHZ-UHFFFAOYSA-N
XLogP3.02
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.19
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dichlorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine?
The IUPAC name of 5-(2,5-dichlorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine (CID 79498225) is 5-(2,5-dichlorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine.
What is the SMILES notation for 5-(2,5-dichlorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine?
The canonical SMILES for 5-(2,5-dichlorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine is C=CCN1C(N)=NCC1(C)c1cc(Cl)ccc1Cl.
What is the InChIKey of 5-(2,5-dichlorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine?
The InChIKey is TUWFFMBGVQVNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3/c1-3-6-18-12(16)17-8-13(18,2)10-7-9(14)4-5-11(10)15/h3-5,7H,1,6,8H2,2H3,(H2,16,17).
What are the key properties of 5-(2,5-dichlorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine?
5-(2,5-dichlorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine has a molecular weight of 284.19 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dichlorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine is sourced from PubChem (CID 79498225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).