2-heptadecyl-1,3-di(propan-2-yl)-2H-imidazole

C26H52N2 — CID 69408656

IUPAC2-heptadecyl-1,3-di(propan-2-yl)-2H-imidazole
SMILESCCCCCCCCCCCCCCCCCC1N(C(C)C)C=CN1C(C)C
InChIInChI=1S/C26H52N2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-27(24(2)3)22-23-28(26)25(4)5/h22-26H,6-21H2,1-5H3
InChIKeyPVWZUTDMWPOCLO-UHFFFAOYSA-N
MW392.72 g/mol
LogP8.48
Rot. Bonds18

About 2-heptadecyl-1,3-di(propan-2-yl)-2H-imidazole

2-heptadecyl-1,3-di(propan-2-yl)-2H-imidazole (PubChem CID 69408656) has the molecular formula C26H52N2 and a molecular weight of 392.72 g/mol. Its IUPAC name is 2-heptadecyl-1,3-di(propan-2-yl)-2H-imidazole.

Molecular Properties

Compound Name2-heptadecyl-1,3-di(propan-2-yl)-2H-imidazole
PubChem CID69408656
Molecular FormulaC26H52N2
Molecular Weight392.72 g/mol
Exact Mass392.41
IUPAC Name2-heptadecyl-1,3-di(propan-2-yl)-2H-imidazole
SMILESCCCCCCCCCCCCCCCCCC1N(C(C)C)C=CN1C(C)C
InChIInChI=1S/C26H52N2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-27(24(2)3)22-23-28(26)25(4)5/h22-26H,6-21H2,1-5H3
InChIKeyPVWZUTDMWPOCLO-UHFFFAOYSA-N
XLogP8.48
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.72
LogP ≤ 58.48
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-nonadecyl-2-pentyl-3-propan-2-yl-2H-imidazole
CID 69393203
1-pentyl-3-propan-2-yl-2-undecyl-2H-imidazole
CID 69392378
2-hexadecyl-1-propan-2-yl-3-tetradecyl-2H-imidazole
CID 69397619
2-octadecyl-1-pentadecyl-3-propan-2-yl-2H-imidazole
CID 69407692
2-heptyl-1-octyl-3-propan-2-yl-2H-imidazole
CID 69409093
1-decyl-3-propan-2-yl-2-tridecyl-2H-imidazole
CID 69393183
2-nonyl-1-propan-2-yl-3-tridecyl-2H-imidazole
CID 69391093
1,2-didodecyl-3-propan-2-yl-2H-imidazole
CID 69397621
1-octadecyl-2-octyl-3-propan-2-yl-2H-imidazole
CID 69394365
1-propan-2-yl-3-tetradecyl-2-undecyl-2H-imidazole
CID 69406629
1-nonadecyl-3-propan-2-yl-2-tridecyl-2H-imidazole
CID 69389221
1-heptadecyl-3-propan-2-yl-2-propyl-2H-imidazole
CID 69393492

Frequently Asked Questions

What is the IUPAC name of 2-heptadecyl-1,3-di(propan-2-yl)-2H-imidazole?
The IUPAC name of 2-heptadecyl-1,3-di(propan-2-yl)-2H-imidazole (CID 69408656) is 2-heptadecyl-1,3-di(propan-2-yl)-2H-imidazole.
What is the SMILES notation for 2-heptadecyl-1,3-di(propan-2-yl)-2H-imidazole?
The canonical SMILES for 2-heptadecyl-1,3-di(propan-2-yl)-2H-imidazole is CCCCCCCCCCCCCCCCCC1N(C(C)C)C=CN1C(C)C.
What is the InChIKey of 2-heptadecyl-1,3-di(propan-2-yl)-2H-imidazole?
The InChIKey is PVWZUTDMWPOCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H52N2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-27(24(2)3)22-23-28(26)25(4)5/h22-26H,6-21H2,1-5H3.
What are the key properties of 2-heptadecyl-1,3-di(propan-2-yl)-2H-imidazole?
2-heptadecyl-1,3-di(propan-2-yl)-2H-imidazole has a molecular weight of 392.72 g/mol, XLogP of 8.48, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptadecyl-1,3-di(propan-2-yl)-2H-imidazole is sourced from PubChem (CID 69408656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).