2-decyl-1H-imidazole

C13H24N2 — CID 3089145

IUPAC2-decyl-1H-imidazole
SMILESCCCCCCCCCCc1ncc[nH]1
InChIInChI=1S/C13H24N2/c1-2-3-4-5-6-7-8-9-10-13-14-11-12-15-13/h11-12H,2-10H2,1H3,(H,14,15)
InChIKeyLYNVLWLRSACENL-UHFFFAOYSA-N
MW208.35 g/mol
LogP4.09
Rot. Bonds9

About 2-decyl-1H-imidazole

2-decyl-1H-imidazole (PubChem CID 3089145) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 2-decyl-1H-imidazole.

Molecular Properties

Compound Name2-decyl-1H-imidazole
PubChem CID3089145
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name2-decyl-1H-imidazole
SMILESCCCCCCCCCCc1ncc[nH]1
InChIInChI=1S/C13H24N2/c1-2-3-4-5-6-7-8-9-10-13-14-11-12-15-13/h11-12H,2-10H2,1H3,(H,14,15)
InChIKeyLYNVLWLRSACENL-UHFFFAOYSA-N
XLogP4.09
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 54.09
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-octyl-1H-imidazole
CID 18347297
2-dodecyl-1H-imidazole
CID 22019838
2-octadecyl-1H-imidazole
CID 54221067
2-hexadecyl-1H-imidazole;hydrobromide
CID 175342933
2-butyl-1H-imidazole;hydrochloride
CID 141134528
2-hexadecyl-1H-imidazole;urea
CID 174763574
N,N-bis[3-(1H-imidazol-2-yl)propyl]heptan-1-amine
CID 140833493
2-butyl-1H-imidazole;cyclohexane
CID 173413359
2-hexyl-1H-imidazole;trifluoromethanesulfonic acid
CID 171931075
N,N-bis[3-(1H-imidazol-2-yl)propyl]butan-1-amine
CID 140833512
2-(3-pentylnonyl)-1H-imidazole
CID 130279651
2-(12-icosoxyoctadecyl)-1H-imidazole
CID 141072232

Frequently Asked Questions

What is the IUPAC name of 2-decyl-1H-imidazole?
The IUPAC name of 2-decyl-1H-imidazole (CID 3089145) is 2-decyl-1H-imidazole.
What is the SMILES notation for 2-decyl-1H-imidazole?
The canonical SMILES for 2-decyl-1H-imidazole is CCCCCCCCCCc1ncc[nH]1.
What is the InChIKey of 2-decyl-1H-imidazole?
The InChIKey is LYNVLWLRSACENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-2-3-4-5-6-7-8-9-10-13-14-11-12-15-13/h11-12H,2-10H2,1H3,(H,14,15).
What are the key properties of 2-decyl-1H-imidazole?
2-decyl-1H-imidazole has a molecular weight of 208.35 g/mol, XLogP of 4.09, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decyl-1H-imidazole is sourced from PubChem (CID 3089145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).