1-butyl-2-[2-(1-butylimidazol-2-yl)ethyl]imidazole

C16H26N4 — CID 67973130

IUPAC1-butyl-2-[2-(1-butylimidazol-2-yl)ethyl]imidazole
SMILESCCCCn1ccnc1CCc1nccn1CCCC
InChIInChI=1S/C16H26N4/c1-3-5-11-19-13-9-17-15(19)7-8-16-18-10-14-20(16)12-6-4-2/h9-10,13-14H,3-8,11-12H2,1-2H3
InChIKeyUWCYDGSIRKNNHA-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.46
Rot. Bonds9

About 1-butyl-2-[2-(1-butylimidazol-2-yl)ethyl]imidazole

1-butyl-2-[2-(1-butylimidazol-2-yl)ethyl]imidazole (PubChem CID 67973130) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-butyl-2-[2-(1-butylimidazol-2-yl)ethyl]imidazole.

Molecular Properties

Compound Name1-butyl-2-[2-(1-butylimidazol-2-yl)ethyl]imidazole
PubChem CID67973130
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name1-butyl-2-[2-(1-butylimidazol-2-yl)ethyl]imidazole
SMILESCCCCn1ccnc1CCc1nccn1CCCC
InChIInChI=1S/C16H26N4/c1-3-5-11-19-13-9-17-15(19)7-8-16-18-10-14-20(16)12-6-4-2/h9-10,13-14H,3-8,11-12H2,1-2H3
InChIKeyUWCYDGSIRKNNHA-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

Analyze 1-butyl-2-[2-(1-butylimidazol-2-yl)ethyl]imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-[2-(1-butylimidazol-2-yl)ethyl]imidazole?
The IUPAC name of 1-butyl-2-[2-(1-butylimidazol-2-yl)ethyl]imidazole (CID 67973130) is 1-butyl-2-[2-(1-butylimidazol-2-yl)ethyl]imidazole.
What is the SMILES notation for 1-butyl-2-[2-(1-butylimidazol-2-yl)ethyl]imidazole?
The canonical SMILES for 1-butyl-2-[2-(1-butylimidazol-2-yl)ethyl]imidazole is CCCCn1ccnc1CCc1nccn1CCCC.
What is the InChIKey of 1-butyl-2-[2-(1-butylimidazol-2-yl)ethyl]imidazole?
The InChIKey is UWCYDGSIRKNNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-3-5-11-19-13-9-17-15(19)7-8-16-18-10-14-20(16)12-6-4-2/h9-10,13-14H,3-8,11-12H2,1-2H3.
What are the key properties of 1-butyl-2-[2-(1-butylimidazol-2-yl)ethyl]imidazole?
1-butyl-2-[2-(1-butylimidazol-2-yl)ethyl]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 1-butyl-2-[2-(1-butylimidazol-2-yl)ethyl]imidazole is sourced from PubChem (CID 67973130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).