2-(3-pentylnonyl)-1H-imidazole

C17H32N2 — CID 130279651

IUPAC2-(3-pentylnonyl)-1H-imidazole
SMILESCCCCCCC(CCCCC)CCc1ncc[nH]1
InChIInChI=1S/C17H32N2/c1-3-5-7-9-11-16(10-8-6-4-2)12-13-17-18-14-15-19-17/h14-16H,3-13H2,1-2H3,(H,18,19)
InChIKeyODNJNEGOKZSBFR-UHFFFAOYSA-N
MW264.46 g/mol
LogP5.51
Rot. Bonds12

About 2-(3-pentylnonyl)-1H-imidazole

2-(3-pentylnonyl)-1H-imidazole (PubChem CID 130279651) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is 2-(3-pentylnonyl)-1H-imidazole.

Molecular Properties

Compound Name2-(3-pentylnonyl)-1H-imidazole
PubChem CID130279651
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Name2-(3-pentylnonyl)-1H-imidazole
SMILESCCCCCCC(CCCCC)CCc1ncc[nH]1
InChIInChI=1S/C17H32N2/c1-3-5-7-9-11-16(10-8-6-4-2)12-13-17-18-14-15-19-17/h14-16H,3-13H2,1-2H3,(H,18,19)
InChIKeyODNJNEGOKZSBFR-UHFFFAOYSA-N
XLogP5.51
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.46
LogP ≤ 55.51
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-decyl-1H-imidazole
CID 3089145
2-hexadecyl-1H-imidazole;hydrobromide
CID 175342933
2-butyl-1H-imidazole;hydrochloride
CID 141134528
2-(12-icosoxyoctadecyl)-1H-imidazole
CID 141072232
N,N-bis[3-(1H-imidazol-2-yl)propyl]heptan-1-amine
CID 140833493
2-hexadecyl-1H-imidazole;urea
CID 174763574
2-butyl-1H-imidazole;cyclohexane
CID 173413359
1-(1H-imidazol-2-yl)-N-methylundecan-2-amine
CID 65450081
N-ethyl-1-(1H-imidazol-2-yl)octan-2-amine
CID 114752420

Frequently Asked Questions

What is the IUPAC name of 2-(3-pentylnonyl)-1H-imidazole?
The IUPAC name of 2-(3-pentylnonyl)-1H-imidazole (CID 130279651) is 2-(3-pentylnonyl)-1H-imidazole.
What is the SMILES notation for 2-(3-pentylnonyl)-1H-imidazole?
The canonical SMILES for 2-(3-pentylnonyl)-1H-imidazole is CCCCCCC(CCCCC)CCc1ncc[nH]1.
What is the InChIKey of 2-(3-pentylnonyl)-1H-imidazole?
The InChIKey is ODNJNEGOKZSBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2/c1-3-5-7-9-11-16(10-8-6-4-2)12-13-17-18-14-15-19-17/h14-16H,3-13H2,1-2H3,(H,18,19).
What are the key properties of 2-(3-pentylnonyl)-1H-imidazole?
2-(3-pentylnonyl)-1H-imidazole has a molecular weight of 264.46 g/mol, XLogP of 5.51, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pentylnonyl)-1H-imidazole is sourced from PubChem (CID 130279651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).