5-[4,4-bis(4-methylphenyl)butyl]-1H-imidazole

C21H24N2 — CID 10780854

IUPAC5-[4,4-bis(4-methylphenyl)butyl]-1H-imidazole
SMILESCc1ccc(C(CCCc2cnc[nH]2)c2ccc(C)cc2)cc1
InChIInChI=1S/C21H24N2/c1-16-6-10-18(11-7-16)21(19-12-8-17(2)9-13-19)5-3-4-20-14-22-15-23-20/h6-15,21H,3-5H2,1-2H3,(H,22,23)
InChIKeyQPIUAAWRHUZOTB-UHFFFAOYSA-N
MW304.44 g/mol
LogP5.18
Rot. Bonds6

About 5-[4,4-bis(4-methylphenyl)butyl]-1H-imidazole

5-[4,4-bis(4-methylphenyl)butyl]-1H-imidazole (PubChem CID 10780854) has the molecular formula C21H24N2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 5-[4,4-bis(4-methylphenyl)butyl]-1H-imidazole.

Molecular Properties

Compound Name5-[4,4-bis(4-methylphenyl)butyl]-1H-imidazole
PubChem CID10780854
Molecular FormulaC21H24N2
Molecular Weight304.44 g/mol
Exact Mass304.19
IUPAC Name5-[4,4-bis(4-methylphenyl)butyl]-1H-imidazole
SMILESCc1ccc(C(CCCc2cnc[nH]2)c2ccc(C)cc2)cc1
InChIInChI=1S/C21H24N2/c1-16-6-10-18(11-7-16)21(19-12-8-17(2)9-13-19)5-3-4-20-14-22-15-23-20/h6-15,21H,3-5H2,1-2H3,(H,22,23)
InChIKeyQPIUAAWRHUZOTB-UHFFFAOYSA-N
XLogP5.18
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.44
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-[4,4-bis(4-methylphenyl)butyl]-1H-imidazole?
The IUPAC name of 5-[4,4-bis(4-methylphenyl)butyl]-1H-imidazole (CID 10780854) is 5-[4,4-bis(4-methylphenyl)butyl]-1H-imidazole.
What is the SMILES notation for 5-[4,4-bis(4-methylphenyl)butyl]-1H-imidazole?
The canonical SMILES for 5-[4,4-bis(4-methylphenyl)butyl]-1H-imidazole is Cc1ccc(C(CCCc2cnc[nH]2)c2ccc(C)cc2)cc1.
What is the InChIKey of 5-[4,4-bis(4-methylphenyl)butyl]-1H-imidazole?
The InChIKey is QPIUAAWRHUZOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2/c1-16-6-10-18(11-7-16)21(19-12-8-17(2)9-13-19)5-3-4-20-14-22-15-23-20/h6-15,21H,3-5H2,1-2H3,(H,22,23).
What are the key properties of 5-[4,4-bis(4-methylphenyl)butyl]-1H-imidazole?
5-[4,4-bis(4-methylphenyl)butyl]-1H-imidazole has a molecular weight of 304.44 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4,4-bis(4-methylphenyl)butyl]-1H-imidazole is sourced from PubChem (CID 10780854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).