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

C38H76N2 — CID 69389221

IUPAC1-nonadecyl-3-propan-2-yl-2-tridecyl-2H-imidazole
SMILESCCCCCCCCCCCCCCCCCCCN1C=CN(C(C)C)C1CCCCCCCCCCCCC
InChIInChI=1S/C38H76N2/c1-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-39-35-36-40(37(3)4)38(39)33-31-29-27-25-23-16-14-12-10-8-6-2/h35-38H,5-34H2,1-4H3
InChIKeyHELYJWJEVLWEST-UHFFFAOYSA-N
MW561.04 g/mol
LogP13.16
Rot. Bonds31

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

1-nonadecyl-3-propan-2-yl-2-tridecyl-2H-imidazole (PubChem CID 69389221) has the molecular formula C38H76N2 and a molecular weight of 561.04 g/mol. Its IUPAC name is 1-nonadecyl-3-propan-2-yl-2-tridecyl-2H-imidazole.

Molecular Properties

Compound Name1-nonadecyl-3-propan-2-yl-2-tridecyl-2H-imidazole
PubChem CID69389221
Molecular FormulaC38H76N2
Molecular Weight561.04 g/mol
Exact Mass560.60
IUPAC Name1-nonadecyl-3-propan-2-yl-2-tridecyl-2H-imidazole
SMILESCCCCCCCCCCCCCCCCCCCN1C=CN(C(C)C)C1CCCCCCCCCCCCC
InChIInChI=1S/C38H76N2/c1-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-39-35-36-40(37(3)4)38(39)33-31-29-27-25-23-16-14-12-10-8-6-2/h35-38H,5-34H2,1-4H3
InChIKeyHELYJWJEVLWEST-UHFFFAOYSA-N
XLogP13.16
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds31
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.04
LogP ≤ 513.16
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-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-nonadecyl-3-propan-2-yl-2-tridecyl-2H-imidazole?
The IUPAC name of 1-nonadecyl-3-propan-2-yl-2-tridecyl-2H-imidazole (CID 69389221) is 1-nonadecyl-3-propan-2-yl-2-tridecyl-2H-imidazole.
What is the SMILES notation for 1-nonadecyl-3-propan-2-yl-2-tridecyl-2H-imidazole?
The canonical SMILES for 1-nonadecyl-3-propan-2-yl-2-tridecyl-2H-imidazole is CCCCCCCCCCCCCCCCCCCN1C=CN(C(C)C)C1CCCCCCCCCCCCC.
What is the InChIKey of 1-nonadecyl-3-propan-2-yl-2-tridecyl-2H-imidazole?
The InChIKey is HELYJWJEVLWEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H76N2/c1-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-39-35-36-40(37(3)4)38(39)33-31-29-27-25-23-16-14-12-10-8-6-2/h35-38H,5-34H2,1-4H3.
What are the key properties of 1-nonadecyl-3-propan-2-yl-2-tridecyl-2H-imidazole?
1-nonadecyl-3-propan-2-yl-2-tridecyl-2H-imidazole has a molecular weight of 561.04 g/mol, XLogP of 13.16, 31 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nonadecyl-3-propan-2-yl-2-tridecyl-2H-imidazole is sourced from PubChem (CID 69389221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).