1-(1-phenyltridecan-3-yl)imidazole

C22H34N2 — CID 69387283

IUPAC1-(1-phenyltridecan-3-yl)imidazole
SMILESCCCCCCCCCCC(CCc1ccccc1)n1ccnc1
InChIInChI=1S/C22H34N2/c1-2-3-4-5-6-7-8-12-15-22(24-19-18-23-20-24)17-16-21-13-10-9-11-14-21/h9-11,13-14,18-20,22H,2-8,12,15-17H2,1H3
InChIKeyDSULIQYHUJBAKX-UHFFFAOYSA-N
MW326.53 g/mol
LogP6.59
Rot. Bonds13

About 1-(1-phenyltridecan-3-yl)imidazole

1-(1-phenyltridecan-3-yl)imidazole (PubChem CID 69387283) has the molecular formula C22H34N2 and a molecular weight of 326.53 g/mol. Its IUPAC name is 1-(1-phenyltridecan-3-yl)imidazole.

Molecular Properties

Compound Name1-(1-phenyltridecan-3-yl)imidazole
PubChem CID69387283
Molecular FormulaC22H34N2
Molecular Weight326.53 g/mol
Exact Mass326.27
IUPAC Name1-(1-phenyltridecan-3-yl)imidazole
SMILESCCCCCCCCCCC(CCc1ccccc1)n1ccnc1
InChIInChI=1S/C22H34N2/c1-2-3-4-5-6-7-8-12-15-22(24-19-18-23-20-24)17-16-21-13-10-9-11-14-21/h9-11,13-14,18-20,22H,2-8,12,15-17H2,1H3
InChIKeyDSULIQYHUJBAKX-UHFFFAOYSA-N
XLogP6.59
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.53
LogP ≤ 56.59
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-docosan-5-ylimidazole
CID 135305816
1-octadecan-4-ylimidazole
CID 174516132
1-(4-benzyl-2-methyltetradecan-3-yl)imidazole
CID 69407939
3-imidazol-1-yldodecan-1-ol
CID 174685778
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-(9-benzylhenicosan-8-yl)imidazole
CID 69391402
1-(15-benzyltriacontan-14-yl)imidazole
CID 69389841

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenyltridecan-3-yl)imidazole?
The IUPAC name of 1-(1-phenyltridecan-3-yl)imidazole (CID 69387283) is 1-(1-phenyltridecan-3-yl)imidazole.
What is the SMILES notation for 1-(1-phenyltridecan-3-yl)imidazole?
The canonical SMILES for 1-(1-phenyltridecan-3-yl)imidazole is CCCCCCCCCCC(CCc1ccccc1)n1ccnc1.
What is the InChIKey of 1-(1-phenyltridecan-3-yl)imidazole?
The InChIKey is DSULIQYHUJBAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2/c1-2-3-4-5-6-7-8-12-15-22(24-19-18-23-20-24)17-16-21-13-10-9-11-14-21/h9-11,13-14,18-20,22H,2-8,12,15-17H2,1H3.
What are the key properties of 1-(1-phenyltridecan-3-yl)imidazole?
1-(1-phenyltridecan-3-yl)imidazole has a molecular weight of 326.53 g/mol, XLogP of 6.59, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenyltridecan-3-yl)imidazole is sourced from PubChem (CID 69387283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).