2-ethyl-1-[6-(2-ethylimidazol-1-yl)hexyl]imidazole

C16H26N4 — CID 132598751

IUPAC2-ethyl-1-[6-(2-ethylimidazol-1-yl)hexyl]imidazole
SMILESCCc1nccn1CCCCCCn1ccnc1CC
InChIInChI=1S/C16H26N4/c1-3-15-17-9-13-19(15)11-7-5-6-8-12-20-14-10-18-16(20)4-2/h9-10,13-14H,3-8,11-12H2,1-2H3
InChIKeySDKWJYIXWQMFSB-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.46
Rot. Bonds9

About 2-ethyl-1-[6-(2-ethylimidazol-1-yl)hexyl]imidazole

2-ethyl-1-[6-(2-ethylimidazol-1-yl)hexyl]imidazole (PubChem CID 132598751) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-ethyl-1-[6-(2-ethylimidazol-1-yl)hexyl]imidazole.

Molecular Properties

Compound Name2-ethyl-1-[6-(2-ethylimidazol-1-yl)hexyl]imidazole
PubChem CID132598751
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name2-ethyl-1-[6-(2-ethylimidazol-1-yl)hexyl]imidazole
SMILESCCc1nccn1CCCCCCn1ccnc1CC
InChIInChI=1S/C16H26N4/c1-3-15-17-9-13-19(15)11-7-5-6-8-12-20-14-10-18-16(20)4-2/h9-10,13-14H,3-8,11-12H2,1-2H3
InChIKeySDKWJYIXWQMFSB-UHFFFAOYSA-N
XLogP3.46
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-dodecyl-2-ethylimidazole;hydrobromide
CID 175123705
1-dodecyl-2-ethylimidazole;hydrochloride
CID 70439493
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CID 141069920
4-(2-ethylimidazol-1-yl)-N-propylbutan-1-amine
CID 62440432
2-ethyl-1-(3-ethylsulfanylpropyl)imidazole
CID 115769672
1,2-di(pentadecyl)imidazole
CID 69388452
3-(2-ethylimidazol-1-yl)propanoic acid
CID 579344
5-(2-ethylimidazol-1-yl)-N'-hydroxypentanimidamide
CID 109374642
ethane;2-ethyl-1-(2-methoxyethyl)imidazole
CID 164585283
3-(2-ethylimidazol-1-yl)propanal
CID 63040378
6-(2-ethylimidazol-1-yl)-N-methylhexan-3-amine
CID 106800331
5-(2-ethylimidazol-1-yl)-2,2-dimethylpentanenitrile
CID 65255231

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[6-(2-ethylimidazol-1-yl)hexyl]imidazole?
The IUPAC name of 2-ethyl-1-[6-(2-ethylimidazol-1-yl)hexyl]imidazole (CID 132598751) is 2-ethyl-1-[6-(2-ethylimidazol-1-yl)hexyl]imidazole.
What is the SMILES notation for 2-ethyl-1-[6-(2-ethylimidazol-1-yl)hexyl]imidazole?
The canonical SMILES for 2-ethyl-1-[6-(2-ethylimidazol-1-yl)hexyl]imidazole is CCc1nccn1CCCCCCn1ccnc1CC.
What is the InChIKey of 2-ethyl-1-[6-(2-ethylimidazol-1-yl)hexyl]imidazole?
The InChIKey is SDKWJYIXWQMFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-3-15-17-9-13-19(15)11-7-5-6-8-12-20-14-10-18-16(20)4-2/h9-10,13-14H,3-8,11-12H2,1-2H3.
What are the key properties of 2-ethyl-1-[6-(2-ethylimidazol-1-yl)hexyl]imidazole?
2-ethyl-1-[6-(2-ethylimidazol-1-yl)hexyl]imidazole has a molecular weight of 274.41 g/mol, XLogP of 3.46, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[6-(2-ethylimidazol-1-yl)hexyl]imidazole is sourced from PubChem (CID 132598751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).