1,2-dipropyl-3-tridecyl-2H-imidazole

C22H44N2 — CID 69391339

IUPAC1,2-dipropyl-3-tridecyl-2H-imidazole
SMILESCCCCCCCCCCCCCN1C=CN(CCC)C1CCC
InChIInChI=1S/C22H44N2/c1-4-7-8-9-10-11-12-13-14-15-16-19-24-21-20-23(18-6-3)22(24)17-5-2/h20-22H,4-19H2,1-3H3
InChIKeyIPSWVQUWZLEIJG-UHFFFAOYSA-N
MW336.61 g/mol
LogP6.92
Rot. Bonds16

About 1,2-dipropyl-3-tridecyl-2H-imidazole

1,2-dipropyl-3-tridecyl-2H-imidazole (PubChem CID 69391339) has the molecular formula C22H44N2 and a molecular weight of 336.61 g/mol. Its IUPAC name is 1,2-dipropyl-3-tridecyl-2H-imidazole.

Molecular Properties

Compound Name1,2-dipropyl-3-tridecyl-2H-imidazole
PubChem CID69391339
Molecular FormulaC22H44N2
Molecular Weight336.61 g/mol
Exact Mass336.35
IUPAC Name1,2-dipropyl-3-tridecyl-2H-imidazole
SMILESCCCCCCCCCCCCCN1C=CN(CCC)C1CCC
InChIInChI=1S/C22H44N2/c1-4-7-8-9-10-11-12-13-14-15-16-19-24-21-20-23(18-6-3)22(24)17-5-2/h20-22H,4-19H2,1-3H3
InChIKeyIPSWVQUWZLEIJG-UHFFFAOYSA-N
XLogP6.92
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.61
LogP ≤ 56.92
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

1-octadecyl-2,3-dipropyl-2H-imidazole
CID 69386966
1-pentadecyl-2-propyl-3-undecyl-2H-imidazole
CID 69395009
2-propyl-1-tetradecyl-3-tridecyl-2H-imidazole
CID 69387822
1-nonadecyl-2-propyl-3-tetradecyl-2H-imidazole
CID 69388828
1-decyl-3-dodecyl-2-propyl-2H-imidazole
CID 69387094
1-propyl-2,3-di(tridecyl)-2H-imidazole
CID 69395493
2-heptyl-1-propyl-3-undecyl-2H-imidazole
CID 69389082
2-dodecyl-1-hexyl-3-propyl-2H-imidazole
CID 69389075
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
2-hexyl-1-octadecyl-3-propyl-2H-imidazole
CID 69390514

Frequently Asked Questions

What is the IUPAC name of 1,2-dipropyl-3-tridecyl-2H-imidazole?
The IUPAC name of 1,2-dipropyl-3-tridecyl-2H-imidazole (CID 69391339) is 1,2-dipropyl-3-tridecyl-2H-imidazole.
What is the SMILES notation for 1,2-dipropyl-3-tridecyl-2H-imidazole?
The canonical SMILES for 1,2-dipropyl-3-tridecyl-2H-imidazole is CCCCCCCCCCCCCN1C=CN(CCC)C1CCC.
What is the InChIKey of 1,2-dipropyl-3-tridecyl-2H-imidazole?
The InChIKey is IPSWVQUWZLEIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44N2/c1-4-7-8-9-10-11-12-13-14-15-16-19-24-21-20-23(18-6-3)22(24)17-5-2/h20-22H,4-19H2,1-3H3.
What are the key properties of 1,2-dipropyl-3-tridecyl-2H-imidazole?
1,2-dipropyl-3-tridecyl-2H-imidazole has a molecular weight of 336.61 g/mol, XLogP of 6.92, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dipropyl-3-tridecyl-2H-imidazole is sourced from PubChem (CID 69391339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).