1-propan-2-yl-3-tetradecyl-2-undecyl-2H-imidazole

C31H62N2 — CID 69406629

IUPAC1-propan-2-yl-3-tetradecyl-2-undecyl-2H-imidazole
SMILESCCCCCCCCCCCCCCN1C=CN(C(C)C)C1CCCCCCCCCCC
InChIInChI=1S/C31H62N2/c1-5-7-9-11-13-15-16-17-19-21-23-25-27-32-28-29-33(30(3)4)31(32)26-24-22-20-18-14-12-10-8-6-2/h28-31H,5-27H2,1-4H3
InChIKeyMVPCSPMVTJBLBE-UHFFFAOYSA-N
MW462.85 g/mol
LogP10.43
Rot. Bonds24

About 1-propan-2-yl-3-tetradecyl-2-undecyl-2H-imidazole

1-propan-2-yl-3-tetradecyl-2-undecyl-2H-imidazole (PubChem CID 69406629) has the molecular formula C31H62N2 and a molecular weight of 462.85 g/mol. Its IUPAC name is 1-propan-2-yl-3-tetradecyl-2-undecyl-2H-imidazole.

Molecular Properties

Compound Name1-propan-2-yl-3-tetradecyl-2-undecyl-2H-imidazole
PubChem CID69406629
Molecular FormulaC31H62N2
Molecular Weight462.85 g/mol
Exact Mass462.49
IUPAC Name1-propan-2-yl-3-tetradecyl-2-undecyl-2H-imidazole
SMILESCCCCCCCCCCCCCCN1C=CN(C(C)C)C1CCCCCCCCCCC
InChIInChI=1S/C31H62N2/c1-5-7-9-11-13-15-16-17-19-21-23-25-27-32-28-29-33(30(3)4)31(32)26-24-22-20-18-14-12-10-8-6-2/h28-31H,5-27H2,1-4H3
InChIKeyMVPCSPMVTJBLBE-UHFFFAOYSA-N
XLogP10.43
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds24
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.85
LogP ≤ 510.43
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-nonadecyl-3-propan-2-yl-2-tridecyl-2H-imidazole
CID 69389221
1-heptadecyl-3-propan-2-yl-2-propyl-2H-imidazole
CID 69393492
1-dodecyl-2-ethyl-3-propan-2-yl-2H-imidazole
CID 69395424

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-tetradecyl-2-undecyl-2H-imidazole?
The IUPAC name of 1-propan-2-yl-3-tetradecyl-2-undecyl-2H-imidazole (CID 69406629) is 1-propan-2-yl-3-tetradecyl-2-undecyl-2H-imidazole.
What is the SMILES notation for 1-propan-2-yl-3-tetradecyl-2-undecyl-2H-imidazole?
The canonical SMILES for 1-propan-2-yl-3-tetradecyl-2-undecyl-2H-imidazole is CCCCCCCCCCCCCCN1C=CN(C(C)C)C1CCCCCCCCCCC.
What is the InChIKey of 1-propan-2-yl-3-tetradecyl-2-undecyl-2H-imidazole?
The InChIKey is MVPCSPMVTJBLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H62N2/c1-5-7-9-11-13-15-16-17-19-21-23-25-27-32-28-29-33(30(3)4)31(32)26-24-22-20-18-14-12-10-8-6-2/h28-31H,5-27H2,1-4H3.
What are the key properties of 1-propan-2-yl-3-tetradecyl-2-undecyl-2H-imidazole?
1-propan-2-yl-3-tetradecyl-2-undecyl-2H-imidazole has a molecular weight of 462.85 g/mol, XLogP of 10.43, 24 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-tetradecyl-2-undecyl-2H-imidazole is sourced from PubChem (CID 69406629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).