1-nonyl-2-pentyl-3-propyl-2H-imidazole

C20H40N2 — CID 69394214

IUPAC1-nonyl-2-pentyl-3-propyl-2H-imidazole
SMILESCCCCCCCCCN1C=CN(CCC)C1CCCCC
InChIInChI=1S/C20H40N2/c1-4-7-9-10-11-12-14-17-22-19-18-21(16-6-3)20(22)15-13-8-5-2/h18-20H,4-17H2,1-3H3
InChIKeyCVLVNWSNKWKJAK-UHFFFAOYSA-N
MW308.55 g/mol
LogP6.14
Rot. Bonds14

About 1-nonyl-2-pentyl-3-propyl-2H-imidazole

1-nonyl-2-pentyl-3-propyl-2H-imidazole (PubChem CID 69394214) has the molecular formula C20H40N2 and a molecular weight of 308.55 g/mol. Its IUPAC name is 1-nonyl-2-pentyl-3-propyl-2H-imidazole.

Molecular Properties

Compound Name1-nonyl-2-pentyl-3-propyl-2H-imidazole
PubChem CID69394214
Molecular FormulaC20H40N2
Molecular Weight308.55 g/mol
Exact Mass308.32
IUPAC Name1-nonyl-2-pentyl-3-propyl-2H-imidazole
SMILESCCCCCCCCCN1C=CN(CCC)C1CCCCC
InChIInChI=1S/C20H40N2/c1-4-7-9-10-11-12-14-17-22-19-18-21(16-6-3)20(22)15-13-8-5-2/h18-20H,4-17H2,1-3H3
InChIKeyCVLVNWSNKWKJAK-UHFFFAOYSA-N
XLogP6.14
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.55
LogP ≤ 56.14
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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Related Compounds

2-dodecyl-1-hexyl-3-propyl-2H-imidazole
CID 69389075
2-hexyl-1-octadecyl-3-propyl-2H-imidazole
CID 69390514
2-pentadecyl-1-propyl-3-tridecyl-2H-imidazole
CID 69391434
2-hexyl-1-nonadecyl-3-propyl-2H-imidazole
CID 69390950
1-pentyl-3-propyl-2-tridecyl-2H-imidazole
CID 69386489
1-propyl-2,3-di(tridecyl)-2H-imidazole
CID 69395493
2-heptyl-1-propyl-3-undecyl-2H-imidazole
CID 69389082
1-hexadecyl-2-octyl-3-propyl-2H-imidazole
CID 21393904
2-decyl-1-octyl-3-propyl-2H-imidazole
CID 69391911
1-decyl-2-hexyl-3-propyl-2H-imidazole
CID 69387913
2-octadecyl-1-octyl-3-pentadecyl-2H-imidazole
CID 69391949
2-hexyl-1-octadecyl-3-pentyl-2H-imidazole
CID 69390682

Frequently Asked Questions

What is the IUPAC name of 1-nonyl-2-pentyl-3-propyl-2H-imidazole?
The IUPAC name of 1-nonyl-2-pentyl-3-propyl-2H-imidazole (CID 69394214) is 1-nonyl-2-pentyl-3-propyl-2H-imidazole.
What is the SMILES notation for 1-nonyl-2-pentyl-3-propyl-2H-imidazole?
The canonical SMILES for 1-nonyl-2-pentyl-3-propyl-2H-imidazole is CCCCCCCCCN1C=CN(CCC)C1CCCCC.
What is the InChIKey of 1-nonyl-2-pentyl-3-propyl-2H-imidazole?
The InChIKey is CVLVNWSNKWKJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2/c1-4-7-9-10-11-12-14-17-22-19-18-21(16-6-3)20(22)15-13-8-5-2/h18-20H,4-17H2,1-3H3.
What are the key properties of 1-nonyl-2-pentyl-3-propyl-2H-imidazole?
1-nonyl-2-pentyl-3-propyl-2H-imidazole has a molecular weight of 308.55 g/mol, XLogP of 6.14, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nonyl-2-pentyl-3-propyl-2H-imidazole is sourced from PubChem (CID 69394214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).