1-benzyl-5-(1,5-diphenylpentyl)imidazole

C27H28N2 — CID 14852378

IUPAC1-benzyl-5-(1,5-diphenylpentyl)imidazole
SMILESc1ccc(CCCCC(c2ccccc2)c2cncn2Cc2ccccc2)cc1
InChIInChI=1S/C27H28N2/c1-4-12-23(13-5-1)14-10-11-19-26(25-17-8-3-9-18-25)27-20-28-22-29(27)21-24-15-6-2-7-16-24/h1-9,12-13,15-18,20,22,26H,10-11,14,19,21H2
InChIKeyOFCSQRMYKAHCIB-UHFFFAOYSA-N
MW380.54 g/mol
LogP6.48
Rot. Bonds9

About 1-benzyl-5-(1,5-diphenylpentyl)imidazole

1-benzyl-5-(1,5-diphenylpentyl)imidazole (PubChem CID 14852378) has the molecular formula C27H28N2 and a molecular weight of 380.54 g/mol. Its IUPAC name is 1-benzyl-5-(1,5-diphenylpentyl)imidazole.

Molecular Properties

Compound Name1-benzyl-5-(1,5-diphenylpentyl)imidazole
PubChem CID14852378
Molecular FormulaC27H28N2
Molecular Weight380.54 g/mol
Exact Mass380.23
IUPAC Name1-benzyl-5-(1,5-diphenylpentyl)imidazole
SMILESc1ccc(CCCCC(c2ccccc2)c2cncn2Cc2ccccc2)cc1
InChIInChI=1S/C27H28N2/c1-4-12-23(13-5-1)14-10-11-19-26(25-17-8-3-9-18-25)27-20-28-22-29(27)21-24-15-6-2-7-16-24/h1-9,12-13,15-18,20,22,26H,10-11,14,19,21H2
InChIKeyOFCSQRMYKAHCIB-UHFFFAOYSA-N
XLogP6.48
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.54
LogP ≤ 56.48
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-benzyl-5-(1,5-diphenylpentyl)imidazole?
The IUPAC name of 1-benzyl-5-(1,5-diphenylpentyl)imidazole (CID 14852378) is 1-benzyl-5-(1,5-diphenylpentyl)imidazole.
What is the SMILES notation for 1-benzyl-5-(1,5-diphenylpentyl)imidazole?
The canonical SMILES for 1-benzyl-5-(1,5-diphenylpentyl)imidazole is c1ccc(CCCCC(c2ccccc2)c2cncn2Cc2ccccc2)cc1.
What is the InChIKey of 1-benzyl-5-(1,5-diphenylpentyl)imidazole?
The InChIKey is OFCSQRMYKAHCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2/c1-4-12-23(13-5-1)14-10-11-19-26(25-17-8-3-9-18-25)27-20-28-22-29(27)21-24-15-6-2-7-16-24/h1-9,12-13,15-18,20,22,26H,10-11,14,19,21H2.
What are the key properties of 1-benzyl-5-(1,5-diphenylpentyl)imidazole?
1-benzyl-5-(1,5-diphenylpentyl)imidazole has a molecular weight of 380.54 g/mol, XLogP of 6.48, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-(1,5-diphenylpentyl)imidazole is sourced from PubChem (CID 14852378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).