1-(4-bromobutyl)-4,5-dihydroimidazole

C7H13BrN2 — CID 22169371

IUPAC1-(4-bromobutyl)-4,5-dihydroimidazole
SMILESBrCCCCN1C=NCC1
InChIInChI=1S/C7H13BrN2/c8-3-1-2-5-10-6-4-9-7-10/h7H,1-6H2
InChIKeyBWJWCSOJIKKUQM-UHFFFAOYSA-N
MW205.10 g/mol
LogP1.51
Rot. Bonds4

About 1-(4-bromobutyl)-4,5-dihydroimidazole

1-(4-bromobutyl)-4,5-dihydroimidazole (PubChem CID 22169371) has the molecular formula C7H13BrN2 and a molecular weight of 205.10 g/mol. Its IUPAC name is 1-(4-bromobutyl)-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-(4-bromobutyl)-4,5-dihydroimidazole
PubChem CID22169371
Molecular FormulaC7H13BrN2
Molecular Weight205.10 g/mol
Exact Mass204.03
IUPAC Name1-(4-bromobutyl)-4,5-dihydroimidazole
SMILESBrCCCCN1C=NCC1
InChIInChI=1S/C7H13BrN2/c8-3-1-2-5-10-6-4-9-7-10/h7H,1-6H2
InChIKeyBWJWCSOJIKKUQM-UHFFFAOYSA-N
XLogP1.51
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.10
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromobutyl)-4,5-dihydroimidazole?
The IUPAC name of 1-(4-bromobutyl)-4,5-dihydroimidazole (CID 22169371) is 1-(4-bromobutyl)-4,5-dihydroimidazole.
What is the SMILES notation for 1-(4-bromobutyl)-4,5-dihydroimidazole?
The canonical SMILES for 1-(4-bromobutyl)-4,5-dihydroimidazole is BrCCCCN1C=NCC1.
What is the InChIKey of 1-(4-bromobutyl)-4,5-dihydroimidazole?
The InChIKey is BWJWCSOJIKKUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13BrN2/c8-3-1-2-5-10-6-4-9-7-10/h7H,1-6H2.
What are the key properties of 1-(4-bromobutyl)-4,5-dihydroimidazole?
1-(4-bromobutyl)-4,5-dihydroimidazole has a molecular weight of 205.10 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromobutyl)-4,5-dihydroimidazole is sourced from PubChem (CID 22169371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).