1-decyl-3-propan-2-yl-2-tridecyl-2H-imidazole

C29H58N2 — CID 69393183

IUPAC1-decyl-3-propan-2-yl-2-tridecyl-2H-imidazole
SMILESCCCCCCCCCCCCCC1N(CCCCCCCCCC)C=CN1C(C)C
InChIInChI=1S/C29H58N2/c1-5-7-9-11-13-15-16-17-18-20-22-24-29-30(26-27-31(29)28(3)4)25-23-21-19-14-12-10-8-6-2/h26-29H,5-25H2,1-4H3
InChIKeyPDKLSFOPCGAVFT-UHFFFAOYSA-N
MW434.80 g/mol
LogP9.65
Rot. Bonds22

About 1-decyl-3-propan-2-yl-2-tridecyl-2H-imidazole

1-decyl-3-propan-2-yl-2-tridecyl-2H-imidazole (PubChem CID 69393183) has the molecular formula C29H58N2 and a molecular weight of 434.80 g/mol. Its IUPAC name is 1-decyl-3-propan-2-yl-2-tridecyl-2H-imidazole.

Molecular Properties

Compound Name1-decyl-3-propan-2-yl-2-tridecyl-2H-imidazole
PubChem CID69393183
Molecular FormulaC29H58N2
Molecular Weight434.80 g/mol
Exact Mass434.46
IUPAC Name1-decyl-3-propan-2-yl-2-tridecyl-2H-imidazole
SMILESCCCCCCCCCCCCCC1N(CCCCCCCCCC)C=CN1C(C)C
InChIInChI=1S/C29H58N2/c1-5-7-9-11-13-15-16-17-18-20-22-24-29-30(26-27-31(29)28(3)4)25-23-21-19-14-12-10-8-6-2/h26-29H,5-25H2,1-4H3
InChIKeyPDKLSFOPCGAVFT-UHFFFAOYSA-N
XLogP9.65
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.80
LogP ≤ 59.65
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
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
1-dodecyl-2-ethyl-3-propan-2-yl-2H-imidazole
CID 69395424

Frequently Asked Questions

What is the IUPAC name of 1-decyl-3-propan-2-yl-2-tridecyl-2H-imidazole?
The IUPAC name of 1-decyl-3-propan-2-yl-2-tridecyl-2H-imidazole (CID 69393183) is 1-decyl-3-propan-2-yl-2-tridecyl-2H-imidazole.
What is the SMILES notation for 1-decyl-3-propan-2-yl-2-tridecyl-2H-imidazole?
The canonical SMILES for 1-decyl-3-propan-2-yl-2-tridecyl-2H-imidazole is CCCCCCCCCCCCCC1N(CCCCCCCCCC)C=CN1C(C)C.
What is the InChIKey of 1-decyl-3-propan-2-yl-2-tridecyl-2H-imidazole?
The InChIKey is PDKLSFOPCGAVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H58N2/c1-5-7-9-11-13-15-16-17-18-20-22-24-29-30(26-27-31(29)28(3)4)25-23-21-19-14-12-10-8-6-2/h26-29H,5-25H2,1-4H3.
What are the key properties of 1-decyl-3-propan-2-yl-2-tridecyl-2H-imidazole?
1-decyl-3-propan-2-yl-2-tridecyl-2H-imidazole has a molecular weight of 434.80 g/mol, XLogP of 9.65, 22 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-3-propan-2-yl-2-tridecyl-2H-imidazole is sourced from PubChem (CID 69393183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).