5-methyl-1-(6-methyltridecan-6-yl)imidazole

C18H34N2 — CID 146379596

IUPAC5-methyl-1-(6-methyltridecan-6-yl)imidazole
SMILESCCCCCCCC(C)(CCCCC)n1cncc1C
InChIInChI=1S/C18H34N2/c1-5-7-9-10-12-14-18(4,13-11-8-6-2)20-16-19-15-17(20)3/h15-16H,5-14H2,1-4H3
InChIKeyFEXXDNOYPZHIMF-UHFFFAOYSA-N
MW278.48 g/mol
LogP5.85
Rot. Bonds11

About 5-methyl-1-(6-methyltridecan-6-yl)imidazole

5-methyl-1-(6-methyltridecan-6-yl)imidazole (PubChem CID 146379596) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is 5-methyl-1-(6-methyltridecan-6-yl)imidazole.

Molecular Properties

Compound Name5-methyl-1-(6-methyltridecan-6-yl)imidazole
PubChem CID146379596
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC Name5-methyl-1-(6-methyltridecan-6-yl)imidazole
SMILESCCCCCCCC(C)(CCCCC)n1cncc1C
InChIInChI=1S/C18H34N2/c1-5-7-9-10-12-14-18(4,13-11-8-6-2)20-16-19-15-17(20)3/h15-16H,5-14H2,1-4H3
InChIKeyFEXXDNOYPZHIMF-UHFFFAOYSA-N
XLogP5.85
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.48
LogP ≤ 55.85
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

4-fluoro-2-methyl-1-(5-methyldodecan-5-yl)imidazole
CID 146378021
4-(7-methyltetradecan-7-yl)-1,2,4-triazole
CID 167267822
2-fluoro-5-methyl-1-(5-methyldodecan-5-yl)imidazole
CID 146378039
5-methyl-1-(5-methyldodecan-5-yl)-3-(trifluoromethyl)pyrazole
CID 146377469
4-iodo-5-methoxy-1-(6-methyltridecan-6-yl)imidazole
CID 146378503
2-fluoro-1-(5-methyldodecan-5-yl)imidazole
CID 146378366
5-iodo-4-methyl-1-(5-methyldodecan-5-yl)pyrazole
CID 146376906
5-chloro-3-fluoro-1-(5-methyldodecan-5-yl)pyrazole
CID 146377981
2-methyltricosan-2-ylazanium chloride
CID 22269541
9-(5-methyldecan-5-yl)purin-6-amine
CID 170323349
4-methyl-3-(6-methyldodecan-6-yl)pyridine
CID 134177281
2-methyl-5-(2-methyloctan-2-yloxy)pyrimidine
CID 130337407

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(6-methyltridecan-6-yl)imidazole?
The IUPAC name of 5-methyl-1-(6-methyltridecan-6-yl)imidazole (CID 146379596) is 5-methyl-1-(6-methyltridecan-6-yl)imidazole.
What is the SMILES notation for 5-methyl-1-(6-methyltridecan-6-yl)imidazole?
The canonical SMILES for 5-methyl-1-(6-methyltridecan-6-yl)imidazole is CCCCCCCC(C)(CCCCC)n1cncc1C.
What is the InChIKey of 5-methyl-1-(6-methyltridecan-6-yl)imidazole?
The InChIKey is FEXXDNOYPZHIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2/c1-5-7-9-10-12-14-18(4,13-11-8-6-2)20-16-19-15-17(20)3/h15-16H,5-14H2,1-4H3.
What are the key properties of 5-methyl-1-(6-methyltridecan-6-yl)imidazole?
5-methyl-1-(6-methyltridecan-6-yl)imidazole has a molecular weight of 278.48 g/mol, XLogP of 5.85, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(6-methyltridecan-6-yl)imidazole is sourced from PubChem (CID 146379596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).