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

C16H27ClN4 — CID 6603041

IUPAC2-butyl-1-[2-(2-butylimidazol-1-yl)ethyl]imidazole;hydrochloride
SMILESCCCCc1nccn1CCn1ccnc1CCCC.Cl
InChIInChI=1S/C16H26N4.ClH/c1-3-5-7-15-17-9-11-19(15)13-14-20-12-10-18-16(20)8-6-4-2;/h9-12H,3-8,13-14H2,1-2H3;1H
InChIKeyWKENFTGFSKUXGI-UHFFFAOYSA-N
MW310.87 g/mol
LogP3.89
Rot. Bonds9

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

2-butyl-1-[2-(2-butylimidazol-1-yl)ethyl]imidazole;hydrochloride (PubChem CID 6603041) has the molecular formula C16H27ClN4 and a molecular weight of 310.87 g/mol. Its IUPAC name is 2-butyl-1-[2-(2-butylimidazol-1-yl)ethyl]imidazole;hydrochloride.

Molecular Properties

Compound Name2-butyl-1-[2-(2-butylimidazol-1-yl)ethyl]imidazole;hydrochloride
PubChem CID6603041
Molecular FormulaC16H27ClN4
Molecular Weight310.87 g/mol
Exact Mass310.19
IUPAC Name2-butyl-1-[2-(2-butylimidazol-1-yl)ethyl]imidazole;hydrochloride
SMILESCCCCc1nccn1CCn1ccnc1CCCC.Cl
InChIInChI=1S/C16H26N4.ClH/c1-3-5-7-15-17-9-11-19(15)13-14-20-12-10-18-16(20)8-6-4-2;/h9-12H,3-8,13-14H2,1-2H3;1H
InChIKeyWKENFTGFSKUXGI-UHFFFAOYSA-N
XLogP3.89
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-[2-(2-butylimidazol-1-yl)ethyl]imidazole;hydrochloride?
The IUPAC name of 2-butyl-1-[2-(2-butylimidazol-1-yl)ethyl]imidazole;hydrochloride (CID 6603041) is 2-butyl-1-[2-(2-butylimidazol-1-yl)ethyl]imidazole;hydrochloride.
What is the SMILES notation for 2-butyl-1-[2-(2-butylimidazol-1-yl)ethyl]imidazole;hydrochloride?
The canonical SMILES for 2-butyl-1-[2-(2-butylimidazol-1-yl)ethyl]imidazole;hydrochloride is CCCCc1nccn1CCn1ccnc1CCCC.Cl.
What is the InChIKey of 2-butyl-1-[2-(2-butylimidazol-1-yl)ethyl]imidazole;hydrochloride?
The InChIKey is WKENFTGFSKUXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4.ClH/c1-3-5-7-15-17-9-11-19(15)13-14-20-12-10-18-16(20)8-6-4-2;/h9-12H,3-8,13-14H2,1-2H3;1H.
What are the key properties of 2-butyl-1-[2-(2-butylimidazol-1-yl)ethyl]imidazole;hydrochloride?
2-butyl-1-[2-(2-butylimidazol-1-yl)ethyl]imidazole;hydrochloride has a molecular weight of 310.87 g/mol, XLogP of 3.89, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-[2-(2-butylimidazol-1-yl)ethyl]imidazole;hydrochloride is sourced from PubChem (CID 6603041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).