1-decyl-2-methylimidazole

C14H26N2 — CID 2775924

IUPAC1-decyl-2-methylimidazole
SMILESCCCCCCCCCCn1ccnc1C
InChIInChI=1S/C14H26N2/c1-3-4-5-6-7-8-9-10-12-16-13-11-15-14(16)2/h11,13H,3-10,12H2,1-2H3
InChIKeyBKFRZOZNMWIFLH-UHFFFAOYSA-N
MW222.38 g/mol
LogP4.33
Rot. Bonds9

About 1-decyl-2-methylimidazole

1-decyl-2-methylimidazole (PubChem CID 2775924) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 1-decyl-2-methylimidazole.

Molecular Properties

Compound Name1-decyl-2-methylimidazole
PubChem CID2775924
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name1-decyl-2-methylimidazole
SMILESCCCCCCCCCCn1ccnc1C
InChIInChI=1S/C14H26N2/c1-3-4-5-6-7-8-9-10-12-16-13-11-15-14(16)2/h11,13H,3-10,12H2,1-2H3
InChIKeyBKFRZOZNMWIFLH-UHFFFAOYSA-N
XLogP4.33
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 54.33
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-decyl-2-methylimidazole?
The IUPAC name of 1-decyl-2-methylimidazole (CID 2775924) is 1-decyl-2-methylimidazole.
What is the SMILES notation for 1-decyl-2-methylimidazole?
The canonical SMILES for 1-decyl-2-methylimidazole is CCCCCCCCCCn1ccnc1C.
What is the InChIKey of 1-decyl-2-methylimidazole?
The InChIKey is BKFRZOZNMWIFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-3-4-5-6-7-8-9-10-12-16-13-11-15-14(16)2/h11,13H,3-10,12H2,1-2H3.
What are the key properties of 1-decyl-2-methylimidazole?
1-decyl-2-methylimidazole has a molecular weight of 222.38 g/mol, XLogP of 4.33, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-2-methylimidazole is sourced from PubChem (CID 2775924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).