1-methyl-3-octadecyl-2H-imidazole

C22H44N2 — CID 18183998

IUPAC1-methyl-3-octadecyl-2H-imidazole
SMILESCCCCCCCCCCCCCCCCCCN1C=CN(C)C1
InChIInChI=1S/C22H44N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-21-20-23(2)22-24/h20-21H,3-19,22H2,1-2H3
InChIKeyVDDUQRTVFVQZQJ-UHFFFAOYSA-N
MW336.61 g/mol
LogP6.92
Rot. Bonds17

About 1-methyl-3-octadecyl-2H-imidazole

1-methyl-3-octadecyl-2H-imidazole (PubChem CID 18183998) has the molecular formula C22H44N2 and a molecular weight of 336.61 g/mol. Its IUPAC name is 1-methyl-3-octadecyl-2H-imidazole.

Molecular Properties

Compound Name1-methyl-3-octadecyl-2H-imidazole
PubChem CID18183998
Molecular FormulaC22H44N2
Molecular Weight336.61 g/mol
Exact Mass336.35
IUPAC Name1-methyl-3-octadecyl-2H-imidazole
SMILESCCCCCCCCCCCCCCCCCCN1C=CN(C)C1
InChIInChI=1S/C22H44N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-21-20-23(2)22-24/h20-21H,3-19,22H2,1-2H3
InChIKeyVDDUQRTVFVQZQJ-UHFFFAOYSA-N
XLogP6.92
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.61
LogP ≤ 56.92
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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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-octadecyl-2H-imidazole?
The IUPAC name of 1-methyl-3-octadecyl-2H-imidazole (CID 18183998) is 1-methyl-3-octadecyl-2H-imidazole.
What is the SMILES notation for 1-methyl-3-octadecyl-2H-imidazole?
The canonical SMILES for 1-methyl-3-octadecyl-2H-imidazole is CCCCCCCCCCCCCCCCCCN1C=CN(C)C1.
What is the InChIKey of 1-methyl-3-octadecyl-2H-imidazole?
The InChIKey is VDDUQRTVFVQZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-21-20-23(2)22-24/h20-21H,3-19,22H2,1-2H3.
What are the key properties of 1-methyl-3-octadecyl-2H-imidazole?
1-methyl-3-octadecyl-2H-imidazole has a molecular weight of 336.61 g/mol, XLogP of 6.92, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-octadecyl-2H-imidazole is sourced from PubChem (CID 18183998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).