2-heptadecyl-5-methyl-1H-imidazole

C21H40N2 — CID 19737075

IUPAC2-heptadecyl-5-methyl-1H-imidazole
SMILESCCCCCCCCCCCCCCCCCc1ncc(C)[nH]1
InChIInChI=1S/C21H40N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-22-19-20(2)23-21/h19H,3-18H2,1-2H3,(H,22,23)
InChIKeyRFWOZDRUDBNGSY-UHFFFAOYSA-N
MW320.56 g/mol
LogP7.13
Rot. Bonds16

About 2-heptadecyl-5-methyl-1H-imidazole

2-heptadecyl-5-methyl-1H-imidazole (PubChem CID 19737075) has the molecular formula C21H40N2 and a molecular weight of 320.56 g/mol. Its IUPAC name is 2-heptadecyl-5-methyl-1H-imidazole.

Molecular Properties

Compound Name2-heptadecyl-5-methyl-1H-imidazole
PubChem CID19737075
Molecular FormulaC21H40N2
Molecular Weight320.56 g/mol
Exact Mass320.32
IUPAC Name2-heptadecyl-5-methyl-1H-imidazole
SMILESCCCCCCCCCCCCCCCCCc1ncc(C)[nH]1
InChIInChI=1S/C21H40N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-22-19-20(2)23-21/h19H,3-18H2,1-2H3,(H,22,23)
InChIKeyRFWOZDRUDBNGSY-UHFFFAOYSA-N
XLogP7.13
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.56
LogP ≤ 57.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2-heptadecyl-5-methyl-1H-imidazole?
The IUPAC name of 2-heptadecyl-5-methyl-1H-imidazole (CID 19737075) is 2-heptadecyl-5-methyl-1H-imidazole.
What is the SMILES notation for 2-heptadecyl-5-methyl-1H-imidazole?
The canonical SMILES for 2-heptadecyl-5-methyl-1H-imidazole is CCCCCCCCCCCCCCCCCc1ncc(C)[nH]1.
What is the InChIKey of 2-heptadecyl-5-methyl-1H-imidazole?
The InChIKey is RFWOZDRUDBNGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-22-19-20(2)23-21/h19H,3-18H2,1-2H3,(H,22,23).
What are the key properties of 2-heptadecyl-5-methyl-1H-imidazole?
2-heptadecyl-5-methyl-1H-imidazole has a molecular weight of 320.56 g/mol, XLogP of 7.13, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptadecyl-5-methyl-1H-imidazole is sourced from PubChem (CID 19737075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).