2-hexyl-1H-imidazole

C9H16N2 — CID 15088614

IUPAC2-hexyl-1H-imidazole
SMILESCCCCCCc1ncc[nH]1
InChIInChI=1S/C9H16N2/c1-2-3-4-5-6-9-10-7-8-11-9/h7-8H,2-6H2,1H3,(H,10,11)
InChIKeyDAPXOJOQSNBLKY-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.53
Rot. Bonds5

About 2-hexyl-1H-imidazole

2-hexyl-1H-imidazole (PubChem CID 15088614) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-hexyl-1H-imidazole.

Molecular Properties

Compound Name2-hexyl-1H-imidazole
PubChem CID15088614
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name2-hexyl-1H-imidazole
SMILESCCCCCCc1ncc[nH]1
InChIInChI=1S/C9H16N2/c1-2-3-4-5-6-9-10-7-8-11-9/h7-8H,2-6H2,1H3,(H,10,11)
InChIKeyDAPXOJOQSNBLKY-UHFFFAOYSA-N
XLogP2.53
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2-hexyl-1H-imidazole?
The IUPAC name of 2-hexyl-1H-imidazole (CID 15088614) is 2-hexyl-1H-imidazole.
What is the SMILES notation for 2-hexyl-1H-imidazole?
The canonical SMILES for 2-hexyl-1H-imidazole is CCCCCCc1ncc[nH]1.
What is the InChIKey of 2-hexyl-1H-imidazole?
The InChIKey is DAPXOJOQSNBLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-2-3-4-5-6-9-10-7-8-11-9/h7-8H,2-6H2,1H3,(H,10,11).
What are the key properties of 2-hexyl-1H-imidazole?
2-hexyl-1H-imidazole has a molecular weight of 152.24 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-1H-imidazole is sourced from PubChem (CID 15088614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).