1-[(2-tridecylphenyl)methyl]imidazole

C23H36N2 — CID 174856287

IUPAC1-[(2-tridecylphenyl)methyl]imidazole
SMILESCCCCCCCCCCCCCc1ccccc1Cn1ccnc1
InChIInChI=1S/C23H36N2/c1-2-3-4-5-6-7-8-9-10-11-12-15-22-16-13-14-17-23(22)20-25-19-18-24-21-25/h13-14,16-19,21H,2-12,15,20H2,1H3
InChIKeyLWDNFMVLLOPRAR-UHFFFAOYSA-N
MW340.55 g/mol
LogP6.78
Rot. Bonds14

About 1-[(2-tridecylphenyl)methyl]imidazole

1-[(2-tridecylphenyl)methyl]imidazole (PubChem CID 174856287) has the molecular formula C23H36N2 and a molecular weight of 340.55 g/mol. Its IUPAC name is 1-[(2-tridecylphenyl)methyl]imidazole.

Molecular Properties

Compound Name1-[(2-tridecylphenyl)methyl]imidazole
PubChem CID174856287
Molecular FormulaC23H36N2
Molecular Weight340.55 g/mol
Exact Mass340.29
IUPAC Name1-[(2-tridecylphenyl)methyl]imidazole
SMILESCCCCCCCCCCCCCc1ccccc1Cn1ccnc1
InChIInChI=1S/C23H36N2/c1-2-3-4-5-6-7-8-9-10-11-12-15-22-16-13-14-17-23(22)20-25-19-18-24-21-25/h13-14,16-19,21H,2-12,15,20H2,1H3
InChIKeyLWDNFMVLLOPRAR-UHFFFAOYSA-N
XLogP6.78
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.55
LogP ≤ 56.78
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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Frequently Asked Questions

What is the IUPAC name of 1-[(2-tridecylphenyl)methyl]imidazole?
The IUPAC name of 1-[(2-tridecylphenyl)methyl]imidazole (CID 174856287) is 1-[(2-tridecylphenyl)methyl]imidazole.
What is the SMILES notation for 1-[(2-tridecylphenyl)methyl]imidazole?
The canonical SMILES for 1-[(2-tridecylphenyl)methyl]imidazole is CCCCCCCCCCCCCc1ccccc1Cn1ccnc1.
What is the InChIKey of 1-[(2-tridecylphenyl)methyl]imidazole?
The InChIKey is LWDNFMVLLOPRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2/c1-2-3-4-5-6-7-8-9-10-11-12-15-22-16-13-14-17-23(22)20-25-19-18-24-21-25/h13-14,16-19,21H,2-12,15,20H2,1H3.
What are the key properties of 1-[(2-tridecylphenyl)methyl]imidazole?
1-[(2-tridecylphenyl)methyl]imidazole has a molecular weight of 340.55 g/mol, XLogP of 6.78, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-tridecylphenyl)methyl]imidazole is sourced from PubChem (CID 174856287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).