5-(2,4-dichlorophenyl)-3-(2-methylpropyl)imidazol-4-amine

C13H15Cl2N3 — CID 62019426

IUPAC5-(2,4-dichlorophenyl)-3-(2-methylpropyl)imidazol-4-amine
SMILESCC(C)Cn1cnc(-c2ccc(Cl)cc2Cl)c1N
InChIInChI=1S/C13H15Cl2N3/c1-8(2)6-18-7-17-12(13(18)16)10-4-3-9(14)5-11(10)15/h3-5,7-8H,6,16H2,1-2H3
InChIKeyYLJYFHYHLZLEMV-UHFFFAOYSA-N
MW284.19 g/mol
LogP4.10
Rot. Bonds3

About 5-(2,4-dichlorophenyl)-3-(2-methylpropyl)imidazol-4-amine

5-(2,4-dichlorophenyl)-3-(2-methylpropyl)imidazol-4-amine (PubChem CID 62019426) has the molecular formula C13H15Cl2N3 and a molecular weight of 284.19 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-3-(2-methylpropyl)imidazol-4-amine.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)-3-(2-methylpropyl)imidazol-4-amine
PubChem CID62019426
Molecular FormulaC13H15Cl2N3
Molecular Weight284.19 g/mol
Exact Mass283.06
IUPAC Name5-(2,4-dichlorophenyl)-3-(2-methylpropyl)imidazol-4-amine
SMILESCC(C)Cn1cnc(-c2ccc(Cl)cc2Cl)c1N
InChIInChI=1S/C13H15Cl2N3/c1-8(2)6-18-7-17-12(13(18)16)10-4-3-9(14)5-11(10)15/h3-5,7-8H,6,16H2,1-2H3
InChIKeyYLJYFHYHLZLEMV-UHFFFAOYSA-N
XLogP4.10
TPSA43.84 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 ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-3-(2-methylpropyl)imidazol-4-amine?
The IUPAC name of 5-(2,4-dichlorophenyl)-3-(2-methylpropyl)imidazol-4-amine (CID 62019426) is 5-(2,4-dichlorophenyl)-3-(2-methylpropyl)imidazol-4-amine.
What is the SMILES notation for 5-(2,4-dichlorophenyl)-3-(2-methylpropyl)imidazol-4-amine?
The canonical SMILES for 5-(2,4-dichlorophenyl)-3-(2-methylpropyl)imidazol-4-amine is CC(C)Cn1cnc(-c2ccc(Cl)cc2Cl)c1N.
What is the InChIKey of 5-(2,4-dichlorophenyl)-3-(2-methylpropyl)imidazol-4-amine?
The InChIKey is YLJYFHYHLZLEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3/c1-8(2)6-18-7-17-12(13(18)16)10-4-3-9(14)5-11(10)15/h3-5,7-8H,6,16H2,1-2H3.
What are the key properties of 5-(2,4-dichlorophenyl)-3-(2-methylpropyl)imidazol-4-amine?
5-(2,4-dichlorophenyl)-3-(2-methylpropyl)imidazol-4-amine has a molecular weight of 284.19 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenyl)-3-(2-methylpropyl)imidazol-4-amine is sourced from PubChem (CID 62019426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).