1-(7-benzyldocosan-8-yl)imidazole

C32H54N2 — CID 69392028

IUPAC1-(7-benzyldocosan-8-yl)imidazole
SMILESCCCCCCCCCCCCCCC(C(CCCCCC)Cc1ccccc1)n1ccnc1
InChIInChI=1S/C32H54N2/c1-3-5-7-9-10-11-12-13-14-15-16-21-25-32(34-27-26-33-29-34)31(24-20-8-6-4-2)28-30-22-18-17-19-23-30/h17-19,22-23,26-27,29,31-32H,3-16,20-21,24-25,28H2,1-2H3
InChIKeyPZUYKBFUOISRIH-UHFFFAOYSA-N
MW466.80 g/mol
LogP10.34
Rot. Bonds22

About 1-(7-benzyldocosan-8-yl)imidazole

1-(7-benzyldocosan-8-yl)imidazole (PubChem CID 69392028) has the molecular formula C32H54N2 and a molecular weight of 466.80 g/mol. Its IUPAC name is 1-(7-benzyldocosan-8-yl)imidazole.

Molecular Properties

Compound Name1-(7-benzyldocosan-8-yl)imidazole
PubChem CID69392028
Molecular FormulaC32H54N2
Molecular Weight466.80 g/mol
Exact Mass466.43
IUPAC Name1-(7-benzyldocosan-8-yl)imidazole
SMILESCCCCCCCCCCCCCCC(C(CCCCCC)Cc1ccccc1)n1ccnc1
InChIInChI=1S/C32H54N2/c1-3-5-7-9-10-11-12-13-14-15-16-21-25-32(34-27-26-33-29-34)31(24-20-8-6-4-2)28-30-22-18-17-19-23-30/h17-19,22-23,26-27,29,31-32H,3-16,20-21,24-25,28H2,1-2H3
InChIKeyPZUYKBFUOISRIH-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-(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-(10-benzylhexacosan-9-yl)imidazole
CID 69393202
1-(21-benzyltetracontan-20-yl)imidazole
CID 69390987
1-(7-benzyltetradecan-6-yl)imidazole
CID 69394444

Frequently Asked Questions

What is the IUPAC name of 1-(7-benzyldocosan-8-yl)imidazole?
The IUPAC name of 1-(7-benzyldocosan-8-yl)imidazole (CID 69392028) is 1-(7-benzyldocosan-8-yl)imidazole.
What is the SMILES notation for 1-(7-benzyldocosan-8-yl)imidazole?
The canonical SMILES for 1-(7-benzyldocosan-8-yl)imidazole is CCCCCCCCCCCCCCC(C(CCCCCC)Cc1ccccc1)n1ccnc1.
What is the InChIKey of 1-(7-benzyldocosan-8-yl)imidazole?
The InChIKey is PZUYKBFUOISRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H54N2/c1-3-5-7-9-10-11-12-13-14-15-16-21-25-32(34-27-26-33-29-34)31(24-20-8-6-4-2)28-30-22-18-17-19-23-30/h17-19,22-23,26-27,29,31-32H,3-16,20-21,24-25,28H2,1-2H3.
What are the key properties of 1-(7-benzyldocosan-8-yl)imidazole?
1-(7-benzyldocosan-8-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-(7-benzyldocosan-8-yl)imidazole is sourced from PubChem (CID 69392028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).