5-methyl-1-[(5-methyl-2-undecylimidazol-1-yl)methyl]-2-undecylimidazole

C31H56N4 — CID 69343856

IUPAC5-methyl-1-[(5-methyl-2-undecylimidazol-1-yl)methyl]-2-undecylimidazole
SMILESCCCCCCCCCCCc1ncc(C)n1Cn1c(C)cnc1CCCCCCCCCCC
InChIInChI=1S/C31H56N4/c1-5-7-9-11-13-15-17-19-21-23-30-32-25-28(3)34(30)27-35-29(4)26-33-31(35)24-22-20-18-16-14-12-10-8-6-2/h25-26H,5-24,27H2,1-4H3
InChIKeyFCRCLCLSIVIFTJ-UHFFFAOYSA-N
MW484.82 g/mol
LogP9.35
Rot. Bonds22

About 5-methyl-1-[(5-methyl-2-undecylimidazol-1-yl)methyl]-2-undecylimidazole

5-methyl-1-[(5-methyl-2-undecylimidazol-1-yl)methyl]-2-undecylimidazole (PubChem CID 69343856) has the molecular formula C31H56N4 and a molecular weight of 484.82 g/mol. Its IUPAC name is 5-methyl-1-[(5-methyl-2-undecylimidazol-1-yl)methyl]-2-undecylimidazole.

Molecular Properties

Compound Name5-methyl-1-[(5-methyl-2-undecylimidazol-1-yl)methyl]-2-undecylimidazole
PubChem CID69343856
Molecular FormulaC31H56N4
Molecular Weight484.82 g/mol
Exact Mass484.45
IUPAC Name5-methyl-1-[(5-methyl-2-undecylimidazol-1-yl)methyl]-2-undecylimidazole
SMILESCCCCCCCCCCCc1ncc(C)n1Cn1c(C)cnc1CCCCCCCCCCC
InChIInChI=1S/C31H56N4/c1-5-7-9-11-13-15-17-19-21-23-30-32-25-28(3)34(30)27-35-29(4)26-33-31(35)24-22-20-18-16-14-12-10-8-6-2/h25-26H,5-24,27H2,1-4H3
InChIKeyFCRCLCLSIVIFTJ-UHFFFAOYSA-N
XLogP9.35
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.82
LogP ≤ 59.35
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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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[(5-methyl-2-undecylimidazol-1-yl)methyl]-2-undecylimidazole?
The IUPAC name of 5-methyl-1-[(5-methyl-2-undecylimidazol-1-yl)methyl]-2-undecylimidazole (CID 69343856) is 5-methyl-1-[(5-methyl-2-undecylimidazol-1-yl)methyl]-2-undecylimidazole.
What is the SMILES notation for 5-methyl-1-[(5-methyl-2-undecylimidazol-1-yl)methyl]-2-undecylimidazole?
The canonical SMILES for 5-methyl-1-[(5-methyl-2-undecylimidazol-1-yl)methyl]-2-undecylimidazole is CCCCCCCCCCCc1ncc(C)n1Cn1c(C)cnc1CCCCCCCCCCC.
What is the InChIKey of 5-methyl-1-[(5-methyl-2-undecylimidazol-1-yl)methyl]-2-undecylimidazole?
The InChIKey is FCRCLCLSIVIFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H56N4/c1-5-7-9-11-13-15-17-19-21-23-30-32-25-28(3)34(30)27-35-29(4)26-33-31(35)24-22-20-18-16-14-12-10-8-6-2/h25-26H,5-24,27H2,1-4H3.
What are the key properties of 5-methyl-1-[(5-methyl-2-undecylimidazol-1-yl)methyl]-2-undecylimidazole?
5-methyl-1-[(5-methyl-2-undecylimidazol-1-yl)methyl]-2-undecylimidazole has a molecular weight of 484.82 g/mol, XLogP of 9.35, 22 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[(5-methyl-2-undecylimidazol-1-yl)methyl]-2-undecylimidazole is sourced from PubChem (CID 69343856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).