4-benzyl-5-methyl-2-(5-naphthalen-1-ylpentyl)-1H-imidazole

C26H28N2 — CID 139695481

IUPAC4-benzyl-5-methyl-2-(5-naphthalen-1-ylpentyl)-1H-imidazole
SMILESCc1[nH]c(CCCCCc2cccc3ccccc23)nc1Cc1ccccc1
InChIInChI=1S/C26H28N2/c1-20-25(19-21-11-4-2-5-12-21)28-26(27-20)18-7-3-6-13-22-15-10-16-23-14-8-9-17-24(22)23/h2,4-5,8-12,14-17H,3,6-7,13,18-19H2,1H3,(H,27,28)
InChIKeyCVKAKEHJZDVWSG-UHFFFAOYSA-N
MW368.52 g/mol
LogP6.42
Rot. Bonds8

About 4-benzyl-5-methyl-2-(5-naphthalen-1-ylpentyl)-1H-imidazole

4-benzyl-5-methyl-2-(5-naphthalen-1-ylpentyl)-1H-imidazole (PubChem CID 139695481) has the molecular formula C26H28N2 and a molecular weight of 368.52 g/mol. Its IUPAC name is 4-benzyl-5-methyl-2-(5-naphthalen-1-ylpentyl)-1H-imidazole.

Molecular Properties

Compound Name4-benzyl-5-methyl-2-(5-naphthalen-1-ylpentyl)-1H-imidazole
PubChem CID139695481
Molecular FormulaC26H28N2
Molecular Weight368.52 g/mol
Exact Mass368.23
IUPAC Name4-benzyl-5-methyl-2-(5-naphthalen-1-ylpentyl)-1H-imidazole
SMILESCc1[nH]c(CCCCCc2cccc3ccccc23)nc1Cc1ccccc1
InChIInChI=1S/C26H28N2/c1-20-25(19-21-11-4-2-5-12-21)28-26(27-20)18-7-3-6-13-22-15-10-16-23-14-8-9-17-24(22)23/h2,4-5,8-12,14-17H,3,6-7,13,18-19H2,1H3,(H,27,28)
InChIKeyCVKAKEHJZDVWSG-UHFFFAOYSA-N
XLogP6.42
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.52
LogP ≤ 56.42
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 4-benzyl-5-methyl-2-(5-naphthalen-1-ylpentyl)-1H-imidazole?
The IUPAC name of 4-benzyl-5-methyl-2-(5-naphthalen-1-ylpentyl)-1H-imidazole (CID 139695481) is 4-benzyl-5-methyl-2-(5-naphthalen-1-ylpentyl)-1H-imidazole.
What is the SMILES notation for 4-benzyl-5-methyl-2-(5-naphthalen-1-ylpentyl)-1H-imidazole?
The canonical SMILES for 4-benzyl-5-methyl-2-(5-naphthalen-1-ylpentyl)-1H-imidazole is Cc1[nH]c(CCCCCc2cccc3ccccc23)nc1Cc1ccccc1.
What is the InChIKey of 4-benzyl-5-methyl-2-(5-naphthalen-1-ylpentyl)-1H-imidazole?
The InChIKey is CVKAKEHJZDVWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2/c1-20-25(19-21-11-4-2-5-12-21)28-26(27-20)18-7-3-6-13-22-15-10-16-23-14-8-9-17-24(22)23/h2,4-5,8-12,14-17H,3,6-7,13,18-19H2,1H3,(H,27,28).
What are the key properties of 4-benzyl-5-methyl-2-(5-naphthalen-1-ylpentyl)-1H-imidazole?
4-benzyl-5-methyl-2-(5-naphthalen-1-ylpentyl)-1H-imidazole has a molecular weight of 368.52 g/mol, XLogP of 6.42, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-5-methyl-2-(5-naphthalen-1-ylpentyl)-1H-imidazole is sourced from PubChem (CID 139695481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).