3-hexyl-1,2-dihydroimidazole

C9H18N2 — CID 21479128

IUPAC3-hexyl-1,2-dihydroimidazole
SMILESCCCCCCN1C=CNC1
InChIInChI=1S/C9H18N2/c1-2-3-4-5-7-11-8-6-10-9-11/h6,8,10H,2-5,7,9H2,1H3
InChIKeyKWWITGLQVFEEOE-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.90
Rot. Bonds5

About 3-hexyl-1,2-dihydroimidazole

3-hexyl-1,2-dihydroimidazole (PubChem CID 21479128) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 3-hexyl-1,2-dihydroimidazole.

Molecular Properties

Compound Name3-hexyl-1,2-dihydroimidazole
PubChem CID21479128
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name3-hexyl-1,2-dihydroimidazole
SMILESCCCCCCN1C=CNC1
InChIInChI=1S/C9H18N2/c1-2-3-4-5-7-11-8-6-10-9-11/h6,8,10H,2-5,7,9H2,1H3
InChIKeyKWWITGLQVFEEOE-UHFFFAOYSA-N
XLogP1.90
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.90
H-Bond Donors ≤ 51
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 3-hexyl-1,2-dihydroimidazole?
The IUPAC name of 3-hexyl-1,2-dihydroimidazole (CID 21479128) is 3-hexyl-1,2-dihydroimidazole.
What is the SMILES notation for 3-hexyl-1,2-dihydroimidazole?
The canonical SMILES for 3-hexyl-1,2-dihydroimidazole is CCCCCCN1C=CNC1.
What is the InChIKey of 3-hexyl-1,2-dihydroimidazole?
The InChIKey is KWWITGLQVFEEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-2-3-4-5-7-11-8-6-10-9-11/h6,8,10H,2-5,7,9H2,1H3.
What are the key properties of 3-hexyl-1,2-dihydroimidazole?
3-hexyl-1,2-dihydroimidazole has a molecular weight of 154.26 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexyl-1,2-dihydroimidazole is sourced from PubChem (CID 21479128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).