1-(14-imidazol-1-yltetradecyl)imidazole;hydrochloride

C20H35ClN4 — CID 57391442

IUPAC1-(14-imidazol-1-yltetradecyl)imidazole;hydrochloride
SMILESCl.c1cn(CCCCCCCCCCCCCCn2ccnc2)cn1
InChIInChI=1S/C20H34N4.ClH/c1(3-5-7-9-11-15-23-17-13-21-19-23)2-4-6-8-10-12-16-24-18-14-22-20-24;/h13-14,17-20H,1-12,15-16H2;1H
InChIKeyUFYBILPQNOKVSH-UHFFFAOYSA-N
MW366.98 g/mol
LogP5.88
Rot. Bonds15

About 1-(14-imidazol-1-yltetradecyl)imidazole;hydrochloride

1-(14-imidazol-1-yltetradecyl)imidazole;hydrochloride (PubChem CID 57391442) has the molecular formula C20H35ClN4 and a molecular weight of 366.98 g/mol. Its IUPAC name is 1-(14-imidazol-1-yltetradecyl)imidazole;hydrochloride.

Molecular Properties

Compound Name1-(14-imidazol-1-yltetradecyl)imidazole;hydrochloride
PubChem CID57391442
Molecular FormulaC20H35ClN4
Molecular Weight366.98 g/mol
Exact Mass366.26
IUPAC Name1-(14-imidazol-1-yltetradecyl)imidazole;hydrochloride
SMILESCl.c1cn(CCCCCCCCCCCCCCn2ccnc2)cn1
InChIInChI=1S/C20H34N4.ClH/c1(3-5-7-9-11-15-23-17-13-21-19-23)2-4-6-8-10-12-16-24-18-14-22-20-24;/h13-14,17-20H,1-12,15-16H2;1H
InChIKeyUFYBILPQNOKVSH-UHFFFAOYSA-N
XLogP5.88
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.98
LogP ≤ 55.88
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

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1-(11,11-dimethyldodecyl)imidazole
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1-(7-methyloctyl)imidazole
CID 59001100
bis(1-butylimidazole);heptane;dihydrobromide
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CID 175596781
4-imidazol-1-ylbutylhydrazine
CID 86114724
fluoroboronic acid;bis(1-pentylimidazole)
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1-(8-methylsulfinyloctyl)imidazole
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Frequently Asked Questions

What is the IUPAC name of 1-(14-imidazol-1-yltetradecyl)imidazole;hydrochloride?
The IUPAC name of 1-(14-imidazol-1-yltetradecyl)imidazole;hydrochloride (CID 57391442) is 1-(14-imidazol-1-yltetradecyl)imidazole;hydrochloride.
What is the SMILES notation for 1-(14-imidazol-1-yltetradecyl)imidazole;hydrochloride?
The canonical SMILES for 1-(14-imidazol-1-yltetradecyl)imidazole;hydrochloride is Cl.c1cn(CCCCCCCCCCCCCCn2ccnc2)cn1.
What is the InChIKey of 1-(14-imidazol-1-yltetradecyl)imidazole;hydrochloride?
The InChIKey is UFYBILPQNOKVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4.ClH/c1(3-5-7-9-11-15-23-17-13-21-19-23)2-4-6-8-10-12-16-24-18-14-22-20-24;/h13-14,17-20H,1-12,15-16H2;1H.
What are the key properties of 1-(14-imidazol-1-yltetradecyl)imidazole;hydrochloride?
1-(14-imidazol-1-yltetradecyl)imidazole;hydrochloride has a molecular weight of 366.98 g/mol, XLogP of 5.88, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(14-imidazol-1-yltetradecyl)imidazole;hydrochloride is sourced from PubChem (CID 57391442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).