1-dodecyl-5-hexylimidazol-2-amine;hydrochloride

C21H42ClN3 — CID 56680230

IUPAC1-dodecyl-5-hexylimidazol-2-amine;hydrochloride
SMILESCCCCCCCCCCCCn1c(CCCCCC)cnc1N.Cl
InChIInChI=1S/C21H41N3.ClH/c1-3-5-7-9-10-11-12-13-14-16-18-24-20(19-23-21(24)22)17-15-8-6-4-2;/h19H,3-18H2,1-2H3,(H2,22,23);1H
InChIKeyMRRPHYRBFOTNTG-UHFFFAOYSA-N
MW372.04 g/mol
LogP6.93
Rot. Bonds16

About 1-dodecyl-5-hexylimidazol-2-amine;hydrochloride

1-dodecyl-5-hexylimidazol-2-amine;hydrochloride (PubChem CID 56680230) has the molecular formula C21H42ClN3 and a molecular weight of 372.04 g/mol. Its IUPAC name is 1-dodecyl-5-hexylimidazol-2-amine;hydrochloride.

Molecular Properties

Compound Name1-dodecyl-5-hexylimidazol-2-amine;hydrochloride
PubChem CID56680230
Molecular FormulaC21H42ClN3
Molecular Weight372.04 g/mol
Exact Mass371.31
IUPAC Name1-dodecyl-5-hexylimidazol-2-amine;hydrochloride
SMILESCCCCCCCCCCCCn1c(CCCCCC)cnc1N.Cl
InChIInChI=1S/C21H41N3.ClH/c1-3-5-7-9-10-11-12-13-14-16-18-24-20(19-23-21(24)22)17-15-8-6-4-2;/h19H,3-18H2,1-2H3,(H2,22,23);1H
InChIKeyMRRPHYRBFOTNTG-UHFFFAOYSA-N
XLogP6.93
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.04
LogP ≤ 56.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-dodecyl-5-hexylimidazol-2-amine;hydrochloride?
The IUPAC name of 1-dodecyl-5-hexylimidazol-2-amine;hydrochloride (CID 56680230) is 1-dodecyl-5-hexylimidazol-2-amine;hydrochloride.
What is the SMILES notation for 1-dodecyl-5-hexylimidazol-2-amine;hydrochloride?
The canonical SMILES for 1-dodecyl-5-hexylimidazol-2-amine;hydrochloride is CCCCCCCCCCCCn1c(CCCCCC)cnc1N.Cl.
What is the InChIKey of 1-dodecyl-5-hexylimidazol-2-amine;hydrochloride?
The InChIKey is MRRPHYRBFOTNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41N3.ClH/c1-3-5-7-9-10-11-12-13-14-16-18-24-20(19-23-21(24)22)17-15-8-6-4-2;/h19H,3-18H2,1-2H3,(H2,22,23);1H.
What are the key properties of 1-dodecyl-5-hexylimidazol-2-amine;hydrochloride?
1-dodecyl-5-hexylimidazol-2-amine;hydrochloride has a molecular weight of 372.04 g/mol, XLogP of 6.93, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecyl-5-hexylimidazol-2-amine;hydrochloride is sourced from PubChem (CID 56680230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).