4-(4,5-dichloroimidazol-1-yl)butan-1-amine

C7H11Cl2N3 — CID 139944584

IUPAC4-(4,5-dichloroimidazol-1-yl)butan-1-amine
SMILESNCCCCn1cnc(Cl)c1Cl
InChIInChI=1S/C7H11Cl2N3/c8-6-7(9)12(5-11-6)4-2-1-3-10/h5H,1-4,10H2
InChIKeyLEWVOJOWSHZQLU-UHFFFAOYSA-N
MW208.09 g/mol
LogP1.93
Rot. Bonds4

About 4-(4,5-dichloroimidazol-1-yl)butan-1-amine

4-(4,5-dichloroimidazol-1-yl)butan-1-amine (PubChem CID 139944584) has the molecular formula C7H11Cl2N3 and a molecular weight of 208.09 g/mol. Its IUPAC name is 4-(4,5-dichloroimidazol-1-yl)butan-1-amine.

Molecular Properties

Compound Name4-(4,5-dichloroimidazol-1-yl)butan-1-amine
PubChem CID139944584
Molecular FormulaC7H11Cl2N3
Molecular Weight208.09 g/mol
Exact Mass207.03
IUPAC Name4-(4,5-dichloroimidazol-1-yl)butan-1-amine
SMILESNCCCCn1cnc(Cl)c1Cl
InChIInChI=1S/C7H11Cl2N3/c8-6-7(9)12(5-11-6)4-2-1-3-10/h5H,1-4,10H2
InChIKeyLEWVOJOWSHZQLU-UHFFFAOYSA-N
XLogP1.93
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.09
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dichloroimidazol-1-yl)butan-1-amine?
The IUPAC name of 4-(4,5-dichloroimidazol-1-yl)butan-1-amine (CID 139944584) is 4-(4,5-dichloroimidazol-1-yl)butan-1-amine.
What is the SMILES notation for 4-(4,5-dichloroimidazol-1-yl)butan-1-amine?
The canonical SMILES for 4-(4,5-dichloroimidazol-1-yl)butan-1-amine is NCCCCn1cnc(Cl)c1Cl.
What is the InChIKey of 4-(4,5-dichloroimidazol-1-yl)butan-1-amine?
The InChIKey is LEWVOJOWSHZQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11Cl2N3/c8-6-7(9)12(5-11-6)4-2-1-3-10/h5H,1-4,10H2.
What are the key properties of 4-(4,5-dichloroimidazol-1-yl)butan-1-amine?
4-(4,5-dichloroimidazol-1-yl)butan-1-amine has a molecular weight of 208.09 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dichloroimidazol-1-yl)butan-1-amine is sourced from PubChem (CID 139944584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).