4-benzyl-1-dodecyl-2-methylimidazole

C23H36N2 — CID 174200825

IUPAC4-benzyl-1-dodecyl-2-methylimidazole
SMILESCCCCCCCCCCCCn1cc(Cc2ccccc2)nc1C
InChIInChI=1S/C23H36N2/c1-3-4-5-6-7-8-9-10-11-15-18-25-20-23(24-21(25)2)19-22-16-13-12-14-17-22/h12-14,16-17,20H,3-11,15,18-19H2,1-2H3
InChIKeyKRFVVTOSZVJXPO-UHFFFAOYSA-N
MW340.56 g/mol
LogP6.70
Rot. Bonds13

About 4-benzyl-1-dodecyl-2-methylimidazole

4-benzyl-1-dodecyl-2-methylimidazole (PubChem CID 174200825) has the molecular formula C23H36N2 and a molecular weight of 340.56 g/mol. Its IUPAC name is 4-benzyl-1-dodecyl-2-methylimidazole.

Molecular Properties

Compound Name4-benzyl-1-dodecyl-2-methylimidazole
PubChem CID174200825
Molecular FormulaC23H36N2
Molecular Weight340.56 g/mol
Exact Mass340.29
IUPAC Name4-benzyl-1-dodecyl-2-methylimidazole
SMILESCCCCCCCCCCCCn1cc(Cc2ccccc2)nc1C
InChIInChI=1S/C23H36N2/c1-3-4-5-6-7-8-9-10-11-15-18-25-20-23(24-21(25)2)19-22-16-13-12-14-17-22/h12-14,16-17,20H,3-11,15,18-19H2,1-2H3
InChIKeyKRFVVTOSZVJXPO-UHFFFAOYSA-N
XLogP6.70
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.56
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-heptadecyl-2-methyl-4-(3-phenylpropyl)imidazole
CID 69405660
1,4-didecyl-2-methylimidazole;hydrobromide
CID 173322060
1-pentyl-4-(3-phenylpropyl)-2-tridecylimidazole
CID 69394705
1-hexadecyl-4-(3-phenylpropyl)-2-tridecylimidazole
CID 69394149
1-octyl-4-(3-phenylpropyl)-2-undecylimidazole
CID 69393954
1-decyl-2-hexyl-4-(3-phenylpropyl)imidazole
CID 69395730
2-hexyl-1-pentadecyl-4-(3-phenylpropyl)imidazole
CID 69388588
1-pentadecyl-4-(3-phenylpropyl)-2-tridecylimidazole
CID 69391173
2-dodecyl-1-heptadecyl-4-(3-phenylpropyl)imidazole
CID 69389170
2-decyl-4-(3-phenylpropyl)-1-tetradecylimidazole
CID 69391447
2-butyl-1-nonadecyl-4-(3-phenylpropyl)imidazole
CID 69387747
1-octadecyl-2-pentyl-4-(3-phenylpropyl)imidazole
CID 69388590

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-dodecyl-2-methylimidazole?
The IUPAC name of 4-benzyl-1-dodecyl-2-methylimidazole (CID 174200825) is 4-benzyl-1-dodecyl-2-methylimidazole.
What is the SMILES notation for 4-benzyl-1-dodecyl-2-methylimidazole?
The canonical SMILES for 4-benzyl-1-dodecyl-2-methylimidazole is CCCCCCCCCCCCn1cc(Cc2ccccc2)nc1C.
What is the InChIKey of 4-benzyl-1-dodecyl-2-methylimidazole?
The InChIKey is KRFVVTOSZVJXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2/c1-3-4-5-6-7-8-9-10-11-15-18-25-20-23(24-21(25)2)19-22-16-13-12-14-17-22/h12-14,16-17,20H,3-11,15,18-19H2,1-2H3.
What are the key properties of 4-benzyl-1-dodecyl-2-methylimidazole?
4-benzyl-1-dodecyl-2-methylimidazole has a molecular weight of 340.56 g/mol, XLogP of 6.70, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-dodecyl-2-methylimidazole is sourced from PubChem (CID 174200825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).