1-bromoimidazole;hexane

C9H17BrN2 — CID 175190317

IUPAC1-bromoimidazole;hexane
SMILESBrn1ccnc1.CCCCCC
InChIInChI=1S/C6H14.C3H3BrN2/c1-3-5-6-4-2;4-6-2-1-5-3-6/h3-6H2,1-2H3;1-3H
InChIKeyDLGBUFZCYSYDBK-UHFFFAOYSA-N
MW233.15 g/mol
LogP3.63
Rot. Bonds3

About 1-bromoimidazole;hexane

1-bromoimidazole;hexane (PubChem CID 175190317) has the molecular formula C9H17BrN2 and a molecular weight of 233.15 g/mol. Its IUPAC name is 1-bromoimidazole;hexane.

Molecular Properties

Compound Name1-bromoimidazole;hexane
PubChem CID175190317
Molecular FormulaC9H17BrN2
Molecular Weight233.15 g/mol
Exact Mass232.06
IUPAC Name1-bromoimidazole;hexane
SMILESBrn1ccnc1.CCCCCC
InChIInChI=1S/C6H14.C3H3BrN2/c1-3-5-6-4-2;4-6-2-1-5-3-6/h3-6H2,1-2H3;1-3H
InChIKeyDLGBUFZCYSYDBK-UHFFFAOYSA-N
XLogP3.63
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.15
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-bromoimidazole;hexane?
The IUPAC name of 1-bromoimidazole;hexane (CID 175190317) is 1-bromoimidazole;hexane.
What is the SMILES notation for 1-bromoimidazole;hexane?
The canonical SMILES for 1-bromoimidazole;hexane is Brn1ccnc1.CCCCCC.
What is the InChIKey of 1-bromoimidazole;hexane?
The InChIKey is DLGBUFZCYSYDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14.C3H3BrN2/c1-3-5-6-4-2;4-6-2-1-5-3-6/h3-6H2,1-2H3;1-3H.
What are the key properties of 1-bromoimidazole;hexane?
1-bromoimidazole;hexane has a molecular weight of 233.15 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromoimidazole;hexane is sourced from PubChem (CID 175190317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).