1-(10-benzylhexacosan-9-yl)imidazole

C36H62N2 — CID 69393202

IUPAC1-(10-benzylhexacosan-9-yl)imidazole
SMILESCCCCCCCCCCCCCCCCC(Cc1ccccc1)C(CCCCCCCC)n1ccnc1
InChIInChI=1S/C36H62N2/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-24-28-35(32-34-26-22-21-23-27-34)36(38-31-30-37-33-38)29-25-20-10-8-6-4-2/h21-23,26-27,30-31,33,35-36H,3-20,24-25,28-29,32H2,1-2H3
InChIKeySBKLIYJIPJJWIN-UHFFFAOYSA-N
MW522.91 g/mol
LogP11.91
Rot. Bonds26

About 1-(10-benzylhexacosan-9-yl)imidazole

1-(10-benzylhexacosan-9-yl)imidazole (PubChem CID 69393202) has the molecular formula C36H62N2 and a molecular weight of 522.91 g/mol. Its IUPAC name is 1-(10-benzylhexacosan-9-yl)imidazole.

Molecular Properties

Compound Name1-(10-benzylhexacosan-9-yl)imidazole
PubChem CID69393202
Molecular FormulaC36H62N2
Molecular Weight522.91 g/mol
Exact Mass522.49
IUPAC Name1-(10-benzylhexacosan-9-yl)imidazole
SMILESCCCCCCCCCCCCCCCCC(Cc1ccccc1)C(CCCCCCCC)n1ccnc1
InChIInChI=1S/C36H62N2/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-24-28-35(32-34-26-22-21-23-27-34)36(38-31-30-37-33-38)29-25-20-10-8-6-4-2/h21-23,26-27,30-31,33,35-36H,3-20,24-25,28-29,32H2,1-2H3
InChIKeySBKLIYJIPJJWIN-UHFFFAOYSA-N
XLogP11.91
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds26
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.91
LogP ≤ 511.91
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-(10-benzyltricosan-9-yl)imidazole
CID 69392318
1-(9-benzylhenicosan-8-yl)imidazole
CID 69391402
1-(7-benzylnonadecan-8-yl)imidazole
CID 69398246
1-(7-benzyltetracosan-8-yl)imidazole
CID 69388647
1-(11-benzyloctacosan-12-yl)imidazole
CID 69394236
1-(15-benzyltriacontan-14-yl)imidazole
CID 69389841
1-(14-benzyloctacosan-13-yl)imidazole
CID 69387304
1-(9-benzyltricosan-10-yl)imidazole
CID 69393233
1-(9-benzylheptadecan-8-yl)imidazole
CID 69390186
1-(21-benzyltetracontan-20-yl)imidazole
CID 69390987
1-(7-benzyldocosan-8-yl)imidazole
CID 69392028
1-(7-benzyltetradecan-6-yl)imidazole
CID 69394444

Frequently Asked Questions

What is the IUPAC name of 1-(10-benzylhexacosan-9-yl)imidazole?
The IUPAC name of 1-(10-benzylhexacosan-9-yl)imidazole (CID 69393202) is 1-(10-benzylhexacosan-9-yl)imidazole.
What is the SMILES notation for 1-(10-benzylhexacosan-9-yl)imidazole?
The canonical SMILES for 1-(10-benzylhexacosan-9-yl)imidazole is CCCCCCCCCCCCCCCCC(Cc1ccccc1)C(CCCCCCCC)n1ccnc1.
What is the InChIKey of 1-(10-benzylhexacosan-9-yl)imidazole?
The InChIKey is SBKLIYJIPJJWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H62N2/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-24-28-35(32-34-26-22-21-23-27-34)36(38-31-30-37-33-38)29-25-20-10-8-6-4-2/h21-23,26-27,30-31,33,35-36H,3-20,24-25,28-29,32H2,1-2H3.
What are the key properties of 1-(10-benzylhexacosan-9-yl)imidazole?
1-(10-benzylhexacosan-9-yl)imidazole has a molecular weight of 522.91 g/mol, XLogP of 11.91, 26 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(10-benzylhexacosan-9-yl)imidazole is sourced from PubChem (CID 69393202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).