1-(7-benzyltetradecan-6-yl)imidazole

C24H38N2 — CID 69394444

IUPAC1-(7-benzyltetradecan-6-yl)imidazole
SMILESCCCCCCCC(Cc1ccccc1)C(CCCCC)n1ccnc1
InChIInChI=1S/C24H38N2/c1-3-5-7-8-13-16-23(20-22-14-11-9-12-15-22)24(17-10-6-4-2)26-19-18-25-21-26/h9,11-12,14-15,18-19,21,23-24H,3-8,10,13,16-17,20H2,1-2H3
InChIKeyROTZIYMUPGPJAO-UHFFFAOYSA-N
MW354.58 g/mol
LogP7.22
Rot. Bonds14

About 1-(7-benzyltetradecan-6-yl)imidazole

1-(7-benzyltetradecan-6-yl)imidazole (PubChem CID 69394444) has the molecular formula C24H38N2 and a molecular weight of 354.58 g/mol. Its IUPAC name is 1-(7-benzyltetradecan-6-yl)imidazole.

Molecular Properties

Compound Name1-(7-benzyltetradecan-6-yl)imidazole
PubChem CID69394444
Molecular FormulaC24H38N2
Molecular Weight354.58 g/mol
Exact Mass354.30
IUPAC Name1-(7-benzyltetradecan-6-yl)imidazole
SMILESCCCCCCCC(Cc1ccccc1)C(CCCCC)n1ccnc1
InChIInChI=1S/C24H38N2/c1-3-5-7-8-13-16-23(20-22-14-11-9-12-15-22)24(17-10-6-4-2)26-19-18-25-21-26/h9,11-12,14-15,18-19,21,23-24H,3-8,10,13,16-17,20H2,1-2H3
InChIKeyROTZIYMUPGPJAO-UHFFFAOYSA-N
XLogP7.22
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.58
LogP ≤ 57.22
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-benzyldocosan-8-yl)imidazole
CID 69392028

Frequently Asked Questions

What is the IUPAC name of 1-(7-benzyltetradecan-6-yl)imidazole?
The IUPAC name of 1-(7-benzyltetradecan-6-yl)imidazole (CID 69394444) is 1-(7-benzyltetradecan-6-yl)imidazole.
What is the SMILES notation for 1-(7-benzyltetradecan-6-yl)imidazole?
The canonical SMILES for 1-(7-benzyltetradecan-6-yl)imidazole is CCCCCCCC(Cc1ccccc1)C(CCCCC)n1ccnc1.
What is the InChIKey of 1-(7-benzyltetradecan-6-yl)imidazole?
The InChIKey is ROTZIYMUPGPJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N2/c1-3-5-7-8-13-16-23(20-22-14-11-9-12-15-22)24(17-10-6-4-2)26-19-18-25-21-26/h9,11-12,14-15,18-19,21,23-24H,3-8,10,13,16-17,20H2,1-2H3.
What are the key properties of 1-(7-benzyltetradecan-6-yl)imidazole?
1-(7-benzyltetradecan-6-yl)imidazole has a molecular weight of 354.58 g/mol, XLogP of 7.22, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-benzyltetradecan-6-yl)imidazole is sourced from PubChem (CID 69394444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).