2-(7-methyltridecan-7-yl)-1H-imidazole

C17H32N2 — CID 134415132

IUPAC2-(7-methyltridecan-7-yl)-1H-imidazole
SMILESCCCCCCC(C)(CCCCCC)c1ncc[nH]1
InChIInChI=1S/C17H32N2/c1-4-6-8-10-12-17(3,13-11-9-7-5-2)16-18-14-15-19-16/h14-15H,4-13H2,1-3H3,(H,18,19)
InChIKeyJQLWQMAGLKEHAS-UHFFFAOYSA-N
MW264.46 g/mol
LogP5.61
Rot. Bonds11

About 2-(7-methyltridecan-7-yl)-1H-imidazole

2-(7-methyltridecan-7-yl)-1H-imidazole (PubChem CID 134415132) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is 2-(7-methyltridecan-7-yl)-1H-imidazole.

Molecular Properties

Compound Name2-(7-methyltridecan-7-yl)-1H-imidazole
PubChem CID134415132
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Name2-(7-methyltridecan-7-yl)-1H-imidazole
SMILESCCCCCCC(C)(CCCCCC)c1ncc[nH]1
InChIInChI=1S/C17H32N2/c1-4-6-8-10-12-17(3,13-11-9-7-5-2)16-18-14-15-19-16/h14-15H,4-13H2,1-3H3,(H,18,19)
InChIKeyJQLWQMAGLKEHAS-UHFFFAOYSA-N
XLogP5.61
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.46
LogP ≤ 55.61
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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Related Compounds

2-(2-methylhexan-2-yl)-1H-imidazole
CID 68747349
2-(1H-imidazol-2-yl)pentan-2-ol
CID 91811688
2-octyl-1H-imidazole
CID 18347297
2-dodecyl-1H-imidazole
CID 22019838
2-octadecyl-1H-imidazole
CID 54221067
2-decyl-1H-imidazole
CID 3089145
5-fluoro-2-(6-methyldodecan-6-yl)pyrimidine
CID 130435856
2-hexadecyl-1H-imidazole;hydrobromide
CID 175342933
5-(5-methylundecan-5-yl)-1H-imidazole
CID 166683864
2-(5-methylundecan-5-yl)-1,3-oxazole
CID 146378601
4-(7-methyltridecan-7-yl)pyrimidine
CID 126624853
4-(5-methylundecan-5-yl)pyridine
CID 146178387

Frequently Asked Questions

What is the IUPAC name of 2-(7-methyltridecan-7-yl)-1H-imidazole?
The IUPAC name of 2-(7-methyltridecan-7-yl)-1H-imidazole (CID 134415132) is 2-(7-methyltridecan-7-yl)-1H-imidazole.
What is the SMILES notation for 2-(7-methyltridecan-7-yl)-1H-imidazole?
The canonical SMILES for 2-(7-methyltridecan-7-yl)-1H-imidazole is CCCCCCC(C)(CCCCCC)c1ncc[nH]1.
What is the InChIKey of 2-(7-methyltridecan-7-yl)-1H-imidazole?
The InChIKey is JQLWQMAGLKEHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2/c1-4-6-8-10-12-17(3,13-11-9-7-5-2)16-18-14-15-19-16/h14-15H,4-13H2,1-3H3,(H,18,19).
What are the key properties of 2-(7-methyltridecan-7-yl)-1H-imidazole?
2-(7-methyltridecan-7-yl)-1H-imidazole has a molecular weight of 264.46 g/mol, XLogP of 5.61, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methyltridecan-7-yl)-1H-imidazole is sourced from PubChem (CID 134415132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).