2-imidazol-1-yl-1-phenyltetradecan-1-one

C23H34N2O — CID 71365660

IUPAC2-imidazol-1-yl-1-phenyltetradecan-1-one
SMILESCCCCCCCCCCCCC(C(=O)c1ccccc1)n1ccnc1
InChIInChI=1S/C23H34N2O/c1-2-3-4-5-6-7-8-9-10-14-17-22(25-19-18-24-20-25)23(26)21-15-12-11-13-16-21/h11-13,15-16,18-20,22H,2-10,14,17H2,1H3
InChIKeyWYVBZKGWXQJMLK-UHFFFAOYSA-N
MW354.54 g/mol
LogP6.62
Rot. Bonds14

About 2-imidazol-1-yl-1-phenyltetradecan-1-one

2-imidazol-1-yl-1-phenyltetradecan-1-one (PubChem CID 71365660) has the molecular formula C23H34N2O and a molecular weight of 354.54 g/mol. Its IUPAC name is 2-imidazol-1-yl-1-phenyltetradecan-1-one.

Molecular Properties

Compound Name2-imidazol-1-yl-1-phenyltetradecan-1-one
PubChem CID71365660
Molecular FormulaC23H34N2O
Molecular Weight354.54 g/mol
Exact Mass354.27
IUPAC Name2-imidazol-1-yl-1-phenyltetradecan-1-one
SMILESCCCCCCCCCCCCC(C(=O)c1ccccc1)n1ccnc1
InChIInChI=1S/C23H34N2O/c1-2-3-4-5-6-7-8-9-10-14-17-22(25-19-18-24-20-25)23(26)21-15-12-11-13-16-21/h11-13,15-16,18-20,22H,2-10,14,17H2,1H3
InChIKeyWYVBZKGWXQJMLK-UHFFFAOYSA-N
XLogP6.62
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.54
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-imidazol-1-yl-1-phenyldecan-1-one
CID 71385679
2-imidazol-1-yltridecanoic acid
CID 69479791
(2R)-2-imidazol-1-yl-1,3-diphenylpropan-1-one
CID 124638329
benzyl 2-imidazol-1-ylhexanoate
CID 86740497
2-imidazol-1-yl-1-phenylpropan-1-one
CID 13282605
carbonic acid;1-nonan-2-ylimidazole
CID 175092771
1-[4-(1-imidazol-1-ylbutyl)phenyl]-2-propylhexadecan-1-one
CID 142779092
1-(21-benzyltetracontan-20-yl)imidazole
CID 69390987
1-(10-benzyltricosan-9-yl)imidazole
CID 69392318
1-(7-benzylnonadecan-8-yl)imidazole
CID 69398246
1-(15-benzyltriacontan-14-yl)imidazole
CID 69389841
1-(14-benzyloctacosan-13-yl)imidazole
CID 69387304

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-1-phenyltetradecan-1-one?
The IUPAC name of 2-imidazol-1-yl-1-phenyltetradecan-1-one (CID 71365660) is 2-imidazol-1-yl-1-phenyltetradecan-1-one.
What is the SMILES notation for 2-imidazol-1-yl-1-phenyltetradecan-1-one?
The canonical SMILES for 2-imidazol-1-yl-1-phenyltetradecan-1-one is CCCCCCCCCCCCC(C(=O)c1ccccc1)n1ccnc1.
What is the InChIKey of 2-imidazol-1-yl-1-phenyltetradecan-1-one?
The InChIKey is WYVBZKGWXQJMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O/c1-2-3-4-5-6-7-8-9-10-14-17-22(25-19-18-24-20-25)23(26)21-15-12-11-13-16-21/h11-13,15-16,18-20,22H,2-10,14,17H2,1H3.
What are the key properties of 2-imidazol-1-yl-1-phenyltetradecan-1-one?
2-imidazol-1-yl-1-phenyltetradecan-1-one has a molecular weight of 354.54 g/mol, XLogP of 6.62, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-1-phenyltetradecan-1-one is sourced from PubChem (CID 71365660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).