2-propyl-1-tetradecyl-3-tridecyl-2H-imidazole

C33H66N2 — CID 69387822

IUPAC2-propyl-1-tetradecyl-3-tridecyl-2H-imidazole
SMILESCCCCCCCCCCCCCCN1C=CN(CCCCCCCCCCCCC)C1CCC
InChIInChI=1S/C33H66N2/c1-4-7-9-11-13-15-17-19-21-23-25-27-30-35-32-31-34(33(35)28-6-3)29-26-24-22-20-18-16-14-12-10-8-5-2/h31-33H,4-30H2,1-3H3
InChIKeyRTUPOMUSVYDVKG-UHFFFAOYSA-N
MW490.91 g/mol
LogP11.21
Rot. Bonds27

About 2-propyl-1-tetradecyl-3-tridecyl-2H-imidazole

2-propyl-1-tetradecyl-3-tridecyl-2H-imidazole (PubChem CID 69387822) has the molecular formula C33H66N2 and a molecular weight of 490.91 g/mol. Its IUPAC name is 2-propyl-1-tetradecyl-3-tridecyl-2H-imidazole.

Molecular Properties

Compound Name2-propyl-1-tetradecyl-3-tridecyl-2H-imidazole
PubChem CID69387822
Molecular FormulaC33H66N2
Molecular Weight490.91 g/mol
Exact Mass490.52
IUPAC Name2-propyl-1-tetradecyl-3-tridecyl-2H-imidazole
SMILESCCCCCCCCCCCCCCN1C=CN(CCCCCCCCCCCCC)C1CCC
InChIInChI=1S/C33H66N2/c1-4-7-9-11-13-15-17-19-21-23-25-27-30-35-32-31-34(33(35)28-6-3)29-26-24-22-20-18-16-14-12-10-8-5-2/h31-33H,4-30H2,1-3H3
InChIKeyRTUPOMUSVYDVKG-UHFFFAOYSA-N
XLogP11.21
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds27
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.91
LogP ≤ 511.21
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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Frequently Asked Questions

What is the IUPAC name of 2-propyl-1-tetradecyl-3-tridecyl-2H-imidazole?
The IUPAC name of 2-propyl-1-tetradecyl-3-tridecyl-2H-imidazole (CID 69387822) is 2-propyl-1-tetradecyl-3-tridecyl-2H-imidazole.
What is the SMILES notation for 2-propyl-1-tetradecyl-3-tridecyl-2H-imidazole?
The canonical SMILES for 2-propyl-1-tetradecyl-3-tridecyl-2H-imidazole is CCCCCCCCCCCCCCN1C=CN(CCCCCCCCCCCCC)C1CCC.
What is the InChIKey of 2-propyl-1-tetradecyl-3-tridecyl-2H-imidazole?
The InChIKey is RTUPOMUSVYDVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H66N2/c1-4-7-9-11-13-15-17-19-21-23-25-27-30-35-32-31-34(33(35)28-6-3)29-26-24-22-20-18-16-14-12-10-8-5-2/h31-33H,4-30H2,1-3H3.
What are the key properties of 2-propyl-1-tetradecyl-3-tridecyl-2H-imidazole?
2-propyl-1-tetradecyl-3-tridecyl-2H-imidazole has a molecular weight of 490.91 g/mol, XLogP of 11.21, 27 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-1-tetradecyl-3-tridecyl-2H-imidazole is sourced from PubChem (CID 69387822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).