1-hexyl-2,3-dimethyl-2H-imidazole

C11H22N2 — CID 23083804

IUPAC1-hexyl-2,3-dimethyl-2H-imidazole
SMILESCCCCCCN1C=CN(C)C1C
InChIInChI=1S/C11H22N2/c1-4-5-6-7-8-13-10-9-12(3)11(13)2/h9-11H,4-8H2,1-3H3
InChIKeyQDIVXRBKUJDKOS-UHFFFAOYSA-N
MW182.31 g/mol
LogP2.63
Rot. Bonds5

About 1-hexyl-2,3-dimethyl-2H-imidazole

1-hexyl-2,3-dimethyl-2H-imidazole (PubChem CID 23083804) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-hexyl-2,3-dimethyl-2H-imidazole.

Molecular Properties

Compound Name1-hexyl-2,3-dimethyl-2H-imidazole
PubChem CID23083804
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name1-hexyl-2,3-dimethyl-2H-imidazole
SMILESCCCCCCN1C=CN(C)C1C
InChIInChI=1S/C11H22N2/c1-4-5-6-7-8-13-10-9-12(3)11(13)2/h9-11H,4-8H2,1-3H3
InChIKeyQDIVXRBKUJDKOS-UHFFFAOYSA-N
XLogP2.63
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.63
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-hexyl-2,3-dimethyl-2H-imidazole?
The IUPAC name of 1-hexyl-2,3-dimethyl-2H-imidazole (CID 23083804) is 1-hexyl-2,3-dimethyl-2H-imidazole.
What is the SMILES notation for 1-hexyl-2,3-dimethyl-2H-imidazole?
The canonical SMILES for 1-hexyl-2,3-dimethyl-2H-imidazole is CCCCCCN1C=CN(C)C1C.
What is the InChIKey of 1-hexyl-2,3-dimethyl-2H-imidazole?
The InChIKey is QDIVXRBKUJDKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-4-5-6-7-8-13-10-9-12(3)11(13)2/h9-11H,4-8H2,1-3H3.
What are the key properties of 1-hexyl-2,3-dimethyl-2H-imidazole?
1-hexyl-2,3-dimethyl-2H-imidazole has a molecular weight of 182.31 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-2,3-dimethyl-2H-imidazole is sourced from PubChem (CID 23083804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).