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

C32H54N2 — CID 69388867

IUPAC1-(6-benzyldocosan-5-yl)imidazole
SMILESCCCCCCCCCCCCCCCCC(Cc1ccccc1)C(CCCC)n1ccnc1
InChIInChI=1S/C32H54N2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-21-24-31(28-30-22-19-18-20-23-30)32(25-6-4-2)34-27-26-33-29-34/h18-20,22-23,26-27,29,31-32H,3-17,21,24-25,28H2,1-2H3
InChIKeyCKACREHTRCBFKO-UHFFFAOYSA-N
MW466.80 g/mol
LogP10.34
Rot. Bonds22

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

1-(6-benzyldocosan-5-yl)imidazole (PubChem CID 69388867) has the molecular formula C32H54N2 and a molecular weight of 466.80 g/mol. Its IUPAC name is 1-(6-benzyldocosan-5-yl)imidazole.

Molecular Properties

Compound Name1-(6-benzyldocosan-5-yl)imidazole
PubChem CID69388867
Molecular FormulaC32H54N2
Molecular Weight466.80 g/mol
Exact Mass466.43
IUPAC Name1-(6-benzyldocosan-5-yl)imidazole
SMILESCCCCCCCCCCCCCCCCC(Cc1ccccc1)C(CCCC)n1ccnc1
InChIInChI=1S/C32H54N2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-21-24-31(28-30-22-19-18-20-23-30)32(25-6-4-2)34-27-26-33-29-34/h18-20,22-23,26-27,29,31-32H,3-17,21,24-25,28H2,1-2H3
InChIKeyCKACREHTRCBFKO-UHFFFAOYSA-N
XLogP10.34
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.80
LogP ≤ 510.34
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-benzylpentacosan-5-yl)imidazole
CID 69391843
1-(6-benzyltricosan-5-yl)imidazole
CID 69390815
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-(14-benzyloctacosan-13-yl)imidazole
CID 69387304
1-(9-benzyltricosan-10-yl)imidazole
CID 69393233
1-(9-benzylheptadecan-8-yl)imidazole
CID 69390186
1-(10-benzylhexacosan-9-yl)imidazole
CID 69393202
1-(15-benzyltriacontan-14-yl)imidazole
CID 69389841

Frequently Asked Questions

What is the IUPAC name of 1-(6-benzyldocosan-5-yl)imidazole?
The IUPAC name of 1-(6-benzyldocosan-5-yl)imidazole (CID 69388867) is 1-(6-benzyldocosan-5-yl)imidazole.
What is the SMILES notation for 1-(6-benzyldocosan-5-yl)imidazole?
The canonical SMILES for 1-(6-benzyldocosan-5-yl)imidazole is CCCCCCCCCCCCCCCCC(Cc1ccccc1)C(CCCC)n1ccnc1.
What is the InChIKey of 1-(6-benzyldocosan-5-yl)imidazole?
The InChIKey is CKACREHTRCBFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H54N2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-21-24-31(28-30-22-19-18-20-23-30)32(25-6-4-2)34-27-26-33-29-34/h18-20,22-23,26-27,29,31-32H,3-17,21,24-25,28H2,1-2H3.
What are the key properties of 1-(6-benzyldocosan-5-yl)imidazole?
1-(6-benzyldocosan-5-yl)imidazole has a molecular weight of 466.80 g/mol, XLogP of 10.34, 22 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-benzyldocosan-5-yl)imidazole is sourced from PubChem (CID 69388867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).