1-propan-2-yl-2-tridecan-3-ylimidazole

C19H36N2 — CID 69408158

IUPAC1-propan-2-yl-2-tridecan-3-ylimidazole
SMILESCCCCCCCCCCC(CC)c1nccn1C(C)C
InChIInChI=1S/C19H36N2/c1-5-7-8-9-10-11-12-13-14-18(6-2)19-20-15-16-21(19)17(3)4/h15-18H,5-14H2,1-4H3
InChIKeyXPJMGJWBOVGOOM-UHFFFAOYSA-N
MW292.51 g/mol
LogP6.49
Rot. Bonds12

About 1-propan-2-yl-2-tridecan-3-ylimidazole

1-propan-2-yl-2-tridecan-3-ylimidazole (PubChem CID 69408158) has the molecular formula C19H36N2 and a molecular weight of 292.51 g/mol. Its IUPAC name is 1-propan-2-yl-2-tridecan-3-ylimidazole.

Molecular Properties

Compound Name1-propan-2-yl-2-tridecan-3-ylimidazole
PubChem CID69408158
Molecular FormulaC19H36N2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC Name1-propan-2-yl-2-tridecan-3-ylimidazole
SMILESCCCCCCCCCCC(CC)c1nccn1C(C)C
InChIInChI=1S/C19H36N2/c1-5-7-8-9-10-11-12-13-14-18(6-2)19-20-15-16-21(19)17(3)4/h15-18H,5-14H2,1-4H3
InChIKeyXPJMGJWBOVGOOM-UHFFFAOYSA-N
XLogP6.49
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.51
LogP ≤ 56.49
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-heptacosan-9-yl-1-propan-2-ylimidazole
CID 69405884
1-pentadecan-2-yl-2-undecan-3-ylimidazole
CID 69406601
2-dodecan-2-yl-1-propan-2-ylimidazole
CID 69408274
2-hexan-3-yl-1-tridecan-2-ylimidazole
CID 69407860
1-heptadecan-2-yl-2-hexan-3-ylimidazole
CID 69408677
2-henicosan-6-yl-1-nonadecan-2-ylimidazole
CID 69406536
2-nonacosan-15-yl-1-octan-2-ylimidazole
CID 69409721
1-octadecan-2-yl-2-pentacosan-13-ylimidazole
CID 69406789
2-nonacosan-12-yl-1-octadecan-2-ylimidazole
CID 69409675
1-hexadecan-2-yl-2-pentacosan-10-ylimidazole
CID 69408468
1-pentadecan-2-yl-2-pentadecan-7-ylimidazole
CID 69405827
2-docosan-10-yl-1-nonan-2-ylimidazole
CID 69405990

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-2-tridecan-3-ylimidazole?
The IUPAC name of 1-propan-2-yl-2-tridecan-3-ylimidazole (CID 69408158) is 1-propan-2-yl-2-tridecan-3-ylimidazole.
What is the SMILES notation for 1-propan-2-yl-2-tridecan-3-ylimidazole?
The canonical SMILES for 1-propan-2-yl-2-tridecan-3-ylimidazole is CCCCCCCCCCC(CC)c1nccn1C(C)C.
What is the InChIKey of 1-propan-2-yl-2-tridecan-3-ylimidazole?
The InChIKey is XPJMGJWBOVGOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2/c1-5-7-8-9-10-11-12-13-14-18(6-2)19-20-15-16-21(19)17(3)4/h15-18H,5-14H2,1-4H3.
What are the key properties of 1-propan-2-yl-2-tridecan-3-ylimidazole?
1-propan-2-yl-2-tridecan-3-ylimidazole has a molecular weight of 292.51 g/mol, XLogP of 6.49, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-2-tridecan-3-ylimidazole is sourced from PubChem (CID 69408158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).