5-methyl-4-phenyl-2-(5-phenylpentyl)-1H-imidazole

C21H24N2 — CID 139695615

IUPAC5-methyl-4-phenyl-2-(5-phenylpentyl)-1H-imidazole
SMILESCc1[nH]c(CCCCCc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C21H24N2/c1-17-21(19-14-8-4-9-15-19)23-20(22-17)16-10-3-7-13-18-11-5-2-6-12-18/h2,4-6,8-9,11-12,14-15H,3,7,10,13,16H2,1H3,(H,22,23)
InChIKeyROGJRDOXVXJIQU-UHFFFAOYSA-N
MW304.44 g/mol
LogP5.34
Rot. Bonds7

About 5-methyl-4-phenyl-2-(5-phenylpentyl)-1H-imidazole

5-methyl-4-phenyl-2-(5-phenylpentyl)-1H-imidazole (PubChem CID 139695615) has the molecular formula C21H24N2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 5-methyl-4-phenyl-2-(5-phenylpentyl)-1H-imidazole.

Molecular Properties

Compound Name5-methyl-4-phenyl-2-(5-phenylpentyl)-1H-imidazole
PubChem CID139695615
Molecular FormulaC21H24N2
Molecular Weight304.44 g/mol
Exact Mass304.19
IUPAC Name5-methyl-4-phenyl-2-(5-phenylpentyl)-1H-imidazole
SMILESCc1[nH]c(CCCCCc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C21H24N2/c1-17-21(19-14-8-4-9-15-19)23-20(22-17)16-10-3-7-13-18-11-5-2-6-12-18/h2,4-6,8-9,11-12,14-15H,3,7,10,13,16H2,1H3,(H,22,23)
InChIKeyROGJRDOXVXJIQU-UHFFFAOYSA-N
XLogP5.34
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.44
LogP ≤ 55.34
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-methyl-4-phenyl-2-(5-phenylpentyl)-1H-imidazole?
The IUPAC name of 5-methyl-4-phenyl-2-(5-phenylpentyl)-1H-imidazole (CID 139695615) is 5-methyl-4-phenyl-2-(5-phenylpentyl)-1H-imidazole.
What is the SMILES notation for 5-methyl-4-phenyl-2-(5-phenylpentyl)-1H-imidazole?
The canonical SMILES for 5-methyl-4-phenyl-2-(5-phenylpentyl)-1H-imidazole is Cc1[nH]c(CCCCCc2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 5-methyl-4-phenyl-2-(5-phenylpentyl)-1H-imidazole?
The InChIKey is ROGJRDOXVXJIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2/c1-17-21(19-14-8-4-9-15-19)23-20(22-17)16-10-3-7-13-18-11-5-2-6-12-18/h2,4-6,8-9,11-12,14-15H,3,7,10,13,16H2,1H3,(H,22,23).
What are the key properties of 5-methyl-4-phenyl-2-(5-phenylpentyl)-1H-imidazole?
5-methyl-4-phenyl-2-(5-phenylpentyl)-1H-imidazole has a molecular weight of 304.44 g/mol, XLogP of 5.34, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-phenyl-2-(5-phenylpentyl)-1H-imidazole is sourced from PubChem (CID 139695615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).