1-[1-[2-[(8S)-tricosan-8-yl]phenyl]propyl]imidazole

C35H60N2 — CID 69390976

IUPAC1-[1-[2-[(8S)-tricosan-8-yl]phenyl]propyl]imidazole
SMILESCCCCCCCCCCCCCCC[C@H](CCCCCCC)c1ccccc1C(CC)n1ccnc1
InChIInChI=1S/C35H60N2/c1-4-7-9-11-12-13-14-15-16-17-18-20-22-26-32(25-21-19-10-8-5-2)33-27-23-24-28-34(33)35(6-3)37-30-29-36-31-37/h23-24,27-32,35H,4-22,25-26H2,1-3H3/t32-,35?/m0/s1
InChIKeyQNYPRTFHTCNTAQ-GYXLRUHFSA-N
MW508.88 g/mol
LogP11.81
Rot. Bonds24

About 1-[1-[2-[(8S)-tricosan-8-yl]phenyl]propyl]imidazole

1-[1-[2-[(8S)-tricosan-8-yl]phenyl]propyl]imidazole (PubChem CID 69390976) has the molecular formula C35H60N2 and a molecular weight of 508.88 g/mol. Its IUPAC name is 1-[1-[2-[(8S)-tricosan-8-yl]phenyl]propyl]imidazole.

Molecular Properties

Compound Name1-[1-[2-[(8S)-tricosan-8-yl]phenyl]propyl]imidazole
PubChem CID69390976
Molecular FormulaC35H60N2
Molecular Weight508.88 g/mol
Exact Mass508.48
IUPAC Name1-[1-[2-[(8S)-tricosan-8-yl]phenyl]propyl]imidazole
SMILESCCCCCCCCCCCCCCC[C@H](CCCCCCC)c1ccccc1C(CC)n1ccnc1
InChIInChI=1S/C35H60N2/c1-4-7-9-11-12-13-14-15-16-17-18-20-22-26-32(25-21-19-10-8-5-2)33-27-23-24-28-34(33)35(6-3)37-30-29-36-31-37/h23-24,27-32,35H,4-22,25-26H2,1-3H3/t32-,35?/m0/s1
InChIKeyQNYPRTFHTCNTAQ-GYXLRUHFSA-N
XLogP11.81
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds24
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.88
LogP ≤ 511.81
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-[1-(2-pentacosan-11-ylphenyl)propyl]imidazole
CID 69391423
1-[1-[2-[(8S)-henicosan-8-yl]phenyl]propyl]imidazole
CID 69398606
1-[1-[2-[(4S)-2-methylpentadecan-4-yl]phenyl]propyl]imidazole
CID 69394622
1-[2-[(4S)-docosan-4-yl]phenyl]imidazole
CID 69396743
1-(1-phenyltridecan-3-yl)imidazole
CID 69387283
1-docosan-5-ylimidazole
CID 135305816
1-octadecan-4-ylimidazole
CID 174516132
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

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[(8S)-tricosan-8-yl]phenyl]propyl]imidazole?
The IUPAC name of 1-[1-[2-[(8S)-tricosan-8-yl]phenyl]propyl]imidazole (CID 69390976) is 1-[1-[2-[(8S)-tricosan-8-yl]phenyl]propyl]imidazole.
What is the SMILES notation for 1-[1-[2-[(8S)-tricosan-8-yl]phenyl]propyl]imidazole?
The canonical SMILES for 1-[1-[2-[(8S)-tricosan-8-yl]phenyl]propyl]imidazole is CCCCCCCCCCCCCCC[C@H](CCCCCCC)c1ccccc1C(CC)n1ccnc1.
What is the InChIKey of 1-[1-[2-[(8S)-tricosan-8-yl]phenyl]propyl]imidazole?
The InChIKey is QNYPRTFHTCNTAQ-GYXLRUHFSA-N. The full InChI is InChI=1S/C35H60N2/c1-4-7-9-11-12-13-14-15-16-17-18-20-22-26-32(25-21-19-10-8-5-2)33-27-23-24-28-34(33)35(6-3)37-30-29-36-31-37/h23-24,27-32,35H,4-22,25-26H2,1-3H3/t32-,35?/m0/s1.
What are the key properties of 1-[1-[2-[(8S)-tricosan-8-yl]phenyl]propyl]imidazole?
1-[1-[2-[(8S)-tricosan-8-yl]phenyl]propyl]imidazole has a molecular weight of 508.88 g/mol, XLogP of 11.81, 24 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-[(8S)-tricosan-8-yl]phenyl]propyl]imidazole is sourced from PubChem (CID 69390976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).