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

C34H58N2 — CID 69388647

IUPAC1-(7-benzyltetracosan-8-yl)imidazole
SMILESCCCCCCCCCCCCCCCCC(C(CCCCCC)Cc1ccccc1)n1ccnc1
InChIInChI=1S/C34H58N2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-23-27-34(36-29-28-35-31-36)33(26-22-8-6-4-2)30-32-24-20-19-21-25-32/h19-21,24-25,28-29,31,33-34H,3-18,22-23,26-27,30H2,1-2H3
InChIKeyVRLGUYHAAKKUOS-UHFFFAOYSA-N
MW494.85 g/mol
LogP11.12
Rot. Bonds24

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

1-(7-benzyltetracosan-8-yl)imidazole (PubChem CID 69388647) has the molecular formula C34H58N2 and a molecular weight of 494.85 g/mol. Its IUPAC name is 1-(7-benzyltetracosan-8-yl)imidazole.

Molecular Properties

Compound Name1-(7-benzyltetracosan-8-yl)imidazole
PubChem CID69388647
Molecular FormulaC34H58N2
Molecular Weight494.85 g/mol
Exact Mass494.46
IUPAC Name1-(7-benzyltetracosan-8-yl)imidazole
SMILESCCCCCCCCCCCCCCCCC(C(CCCCCC)Cc1ccccc1)n1ccnc1
InChIInChI=1S/C34H58N2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-23-27-34(36-29-28-35-31-36)33(26-22-8-6-4-2)30-32-24-20-19-21-25-32/h19-21,24-25,28-29,31,33-34H,3-18,22-23,26-27,30H2,1-2H3
InChIKeyVRLGUYHAAKKUOS-UHFFFAOYSA-N
XLogP11.12
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds24
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.85
LogP ≤ 511.12
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-(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-benzyldocosan-8-yl)imidazole
CID 69392028
1-(7-benzyltetradecan-6-yl)imidazole
CID 69394444

Frequently Asked Questions

What is the IUPAC name of 1-(7-benzyltetracosan-8-yl)imidazole?
The IUPAC name of 1-(7-benzyltetracosan-8-yl)imidazole (CID 69388647) is 1-(7-benzyltetracosan-8-yl)imidazole.
What is the SMILES notation for 1-(7-benzyltetracosan-8-yl)imidazole?
The canonical SMILES for 1-(7-benzyltetracosan-8-yl)imidazole is CCCCCCCCCCCCCCCCC(C(CCCCCC)Cc1ccccc1)n1ccnc1.
What is the InChIKey of 1-(7-benzyltetracosan-8-yl)imidazole?
The InChIKey is VRLGUYHAAKKUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H58N2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-23-27-34(36-29-28-35-31-36)33(26-22-8-6-4-2)30-32-24-20-19-21-25-32/h19-21,24-25,28-29,31,33-34H,3-18,22-23,26-27,30H2,1-2H3.
What are the key properties of 1-(7-benzyltetracosan-8-yl)imidazole?
1-(7-benzyltetracosan-8-yl)imidazole has a molecular weight of 494.85 g/mol, XLogP of 11.12, 24 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-benzyltetracosan-8-yl)imidazole is sourced from PubChem (CID 69388647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).