1-(6-benzylpentacosan-5-yl)imidazole

C35H60N2 — CID 69391843

IUPAC1-(6-benzylpentacosan-5-yl)imidazole
SMILESCCCCCCCCCCCCCCCCCCCC(Cc1ccccc1)C(CCCC)n1ccnc1
InChIInChI=1S/C35H60N2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-27-34(31-33-25-22-21-23-26-33)35(28-6-4-2)37-30-29-36-32-37/h21-23,25-26,29-30,32,34-35H,3-20,24,27-28,31H2,1-2H3
InChIKeyPQGFZGSCRWAFBN-UHFFFAOYSA-N
MW508.88 g/mol
LogP11.52
Rot. Bonds25

About 1-(6-benzylpentacosan-5-yl)imidazole

1-(6-benzylpentacosan-5-yl)imidazole (PubChem CID 69391843) has the molecular formula C35H60N2 and a molecular weight of 508.88 g/mol. Its IUPAC name is 1-(6-benzylpentacosan-5-yl)imidazole.

Molecular Properties

Compound Name1-(6-benzylpentacosan-5-yl)imidazole
PubChem CID69391843
Molecular FormulaC35H60N2
Molecular Weight508.88 g/mol
Exact Mass508.48
IUPAC Name1-(6-benzylpentacosan-5-yl)imidazole
SMILESCCCCCCCCCCCCCCCCCCCC(Cc1ccccc1)C(CCCC)n1ccnc1
InChIInChI=1S/C35H60N2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-27-34(31-33-25-22-21-23-26-33)35(28-6-4-2)37-30-29-36-32-37/h21-23,25-26,29-30,32,34-35H,3-20,24,27-28,31H2,1-2H3
InChIKeyPQGFZGSCRWAFBN-UHFFFAOYSA-N
XLogP11.52
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds25
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.88
LogP ≤ 511.52
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-(6-benzyldocosan-5-yl)imidazole
CID 69388867
1-(6-benzyltricosan-5-yl)imidazole
CID 69390815
1-(10-benzyltricosan-9-yl)imidazole
CID 69392318
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-(9-benzylhenicosan-8-yl)imidazole
CID 69391402
1-(10-benzylhexacosan-9-yl)imidazole
CID 69393202

Frequently Asked Questions

What is the IUPAC name of 1-(6-benzylpentacosan-5-yl)imidazole?
The IUPAC name of 1-(6-benzylpentacosan-5-yl)imidazole (CID 69391843) is 1-(6-benzylpentacosan-5-yl)imidazole.
What is the SMILES notation for 1-(6-benzylpentacosan-5-yl)imidazole?
The canonical SMILES for 1-(6-benzylpentacosan-5-yl)imidazole is CCCCCCCCCCCCCCCCCCCC(Cc1ccccc1)C(CCCC)n1ccnc1.
What is the InChIKey of 1-(6-benzylpentacosan-5-yl)imidazole?
The InChIKey is PQGFZGSCRWAFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H60N2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-27-34(31-33-25-22-21-23-26-33)35(28-6-4-2)37-30-29-36-32-37/h21-23,25-26,29-30,32,34-35H,3-20,24,27-28,31H2,1-2H3.
What are the key properties of 1-(6-benzylpentacosan-5-yl)imidazole?
1-(6-benzylpentacosan-5-yl)imidazole has a molecular weight of 508.88 g/mol, XLogP of 11.52, 25 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-benzylpentacosan-5-yl)imidazole is sourced from PubChem (CID 69391843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).