5-(4-phenylphenyl)-2-undecan-6-yl-1H-imidazole

C26H34N2 — CID 10109974

IUPAC5-(4-phenylphenyl)-2-undecan-6-yl-1H-imidazole
SMILESCCCCCC(CCCCC)c1ncc(-c2ccc(-c3ccccc3)cc2)[nH]1
InChIInChI=1S/C26H34N2/c1-3-5-8-14-24(15-9-6-4-2)26-27-20-25(28-26)23-18-16-22(17-19-23)21-12-10-7-11-13-21/h7,10-13,16-20,24H,3-6,8-9,14-15H2,1-2H3,(H,27,28)
InChIKeyFAJKZAIMTCYING-UHFFFAOYSA-N
MW374.57 g/mol
LogP7.99
Rot. Bonds11

About 5-(4-phenylphenyl)-2-undecan-6-yl-1H-imidazole

5-(4-phenylphenyl)-2-undecan-6-yl-1H-imidazole (PubChem CID 10109974) has the molecular formula C26H34N2 and a molecular weight of 374.57 g/mol. Its IUPAC name is 5-(4-phenylphenyl)-2-undecan-6-yl-1H-imidazole.

Molecular Properties

Compound Name5-(4-phenylphenyl)-2-undecan-6-yl-1H-imidazole
PubChem CID10109974
Molecular FormulaC26H34N2
Molecular Weight374.57 g/mol
Exact Mass374.27
IUPAC Name5-(4-phenylphenyl)-2-undecan-6-yl-1H-imidazole
SMILESCCCCCC(CCCCC)c1ncc(-c2ccc(-c3ccccc3)cc2)[nH]1
InChIInChI=1S/C26H34N2/c1-3-5-8-14-24(15-9-6-4-2)26-27-20-25(28-26)23-18-16-22(17-19-23)21-12-10-7-11-13-21/h7,10-13,16-20,24H,3-6,8-9,14-15H2,1-2H3,(H,27,28)
InChIKeyFAJKZAIMTCYING-UHFFFAOYSA-N
XLogP7.99
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.57
LogP ≤ 57.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 5-(4-phenylphenyl)-2-undecan-6-yl-1H-imidazole?
The IUPAC name of 5-(4-phenylphenyl)-2-undecan-6-yl-1H-imidazole (CID 10109974) is 5-(4-phenylphenyl)-2-undecan-6-yl-1H-imidazole.
What is the SMILES notation for 5-(4-phenylphenyl)-2-undecan-6-yl-1H-imidazole?
The canonical SMILES for 5-(4-phenylphenyl)-2-undecan-6-yl-1H-imidazole is CCCCCC(CCCCC)c1ncc(-c2ccc(-c3ccccc3)cc2)[nH]1.
What is the InChIKey of 5-(4-phenylphenyl)-2-undecan-6-yl-1H-imidazole?
The InChIKey is FAJKZAIMTCYING-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2/c1-3-5-8-14-24(15-9-6-4-2)26-27-20-25(28-26)23-18-16-22(17-19-23)21-12-10-7-11-13-21/h7,10-13,16-20,24H,3-6,8-9,14-15H2,1-2H3,(H,27,28).
What are the key properties of 5-(4-phenylphenyl)-2-undecan-6-yl-1H-imidazole?
5-(4-phenylphenyl)-2-undecan-6-yl-1H-imidazole has a molecular weight of 374.57 g/mol, XLogP of 7.99, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-phenylphenyl)-2-undecan-6-yl-1H-imidazole is sourced from PubChem (CID 10109974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).