1-[3-[1-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]-2-methylpropan-1-amine

C15H19Cl2N3 — CID 102969505

IUPAC1-[3-[1-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]-2-methylpropan-1-amine
SMILESCC(C)C(N)c1cncn1C(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H19Cl2N3/c1-9(2)15(18)14-7-19-8-20(14)10(3)12-5-4-11(16)6-13(12)17/h4-10,15H,18H2,1-3H3
InChIKeyDJJLLQQLRLQXGV-UHFFFAOYSA-N
MW312.24 g/mol
LogP4.45
Rot. Bonds4

About 1-[3-[1-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]-2-methylpropan-1-amine

1-[3-[1-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]-2-methylpropan-1-amine (PubChem CID 102969505) has the molecular formula C15H19Cl2N3 and a molecular weight of 312.24 g/mol. Its IUPAC name is 1-[3-[1-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-[3-[1-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]-2-methylpropan-1-amine
PubChem CID102969505
Molecular FormulaC15H19Cl2N3
Molecular Weight312.24 g/mol
Exact Mass311.10
IUPAC Name1-[3-[1-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]-2-methylpropan-1-amine
SMILESCC(C)C(N)c1cncn1C(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H19Cl2N3/c1-9(2)15(18)14-7-19-8-20(14)10(3)12-5-4-11(16)6-13(12)17/h4-10,15H,18H2,1-3H3
InChIKeyDJJLLQQLRLQXGV-UHFFFAOYSA-N
XLogP4.45
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]-2-methylpropan-1-amine?
The IUPAC name of 1-[3-[1-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]-2-methylpropan-1-amine (CID 102969505) is 1-[3-[1-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 1-[3-[1-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]-2-methylpropan-1-amine?
The canonical SMILES for 1-[3-[1-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]-2-methylpropan-1-amine is CC(C)C(N)c1cncn1C(C)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[3-[1-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]-2-methylpropan-1-amine?
The InChIKey is DJJLLQQLRLQXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3/c1-9(2)15(18)14-7-19-8-20(14)10(3)12-5-4-11(16)6-13(12)17/h4-10,15H,18H2,1-3H3.
What are the key properties of 1-[3-[1-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]-2-methylpropan-1-amine?
1-[3-[1-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]-2-methylpropan-1-amine has a molecular weight of 312.24 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 102969505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).