5-methyl-4-[(4-methylphenyl)methyl]-2-phenyl-1H-imidazole

C18H18N2 — CID 19419957

IUPAC5-methyl-4-[(4-methylphenyl)methyl]-2-phenyl-1H-imidazole
SMILESCc1ccc(Cc2nc(-c3ccccc3)[nH]c2C)cc1
InChIInChI=1S/C18H18N2/c1-13-8-10-15(11-9-13)12-17-14(2)19-18(20-17)16-6-4-3-5-7-16/h3-11H,12H2,1-2H3,(H,19,20)
InChIKeyREBIYXDGLSNTPH-UHFFFAOYSA-N
MW262.36 g/mol
LogP4.28
Rot. Bonds3

About 5-methyl-4-[(4-methylphenyl)methyl]-2-phenyl-1H-imidazole

5-methyl-4-[(4-methylphenyl)methyl]-2-phenyl-1H-imidazole (PubChem CID 19419957) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 5-methyl-4-[(4-methylphenyl)methyl]-2-phenyl-1H-imidazole.

Molecular Properties

Compound Name5-methyl-4-[(4-methylphenyl)methyl]-2-phenyl-1H-imidazole
PubChem CID19419957
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC Name5-methyl-4-[(4-methylphenyl)methyl]-2-phenyl-1H-imidazole
SMILESCc1ccc(Cc2nc(-c3ccccc3)[nH]c2C)cc1
InChIInChI=1S/C18H18N2/c1-13-8-10-15(11-9-13)12-17-14(2)19-18(20-17)16-6-4-3-5-7-16/h3-11H,12H2,1-2H3,(H,19,20)
InChIKeyREBIYXDGLSNTPH-UHFFFAOYSA-N
XLogP4.28
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[(4-methylphenyl)methyl]-2-phenyl-1H-imidazole?
The IUPAC name of 5-methyl-4-[(4-methylphenyl)methyl]-2-phenyl-1H-imidazole (CID 19419957) is 5-methyl-4-[(4-methylphenyl)methyl]-2-phenyl-1H-imidazole.
What is the SMILES notation for 5-methyl-4-[(4-methylphenyl)methyl]-2-phenyl-1H-imidazole?
The canonical SMILES for 5-methyl-4-[(4-methylphenyl)methyl]-2-phenyl-1H-imidazole is Cc1ccc(Cc2nc(-c3ccccc3)[nH]c2C)cc1.
What is the InChIKey of 5-methyl-4-[(4-methylphenyl)methyl]-2-phenyl-1H-imidazole?
The InChIKey is REBIYXDGLSNTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2/c1-13-8-10-15(11-9-13)12-17-14(2)19-18(20-17)16-6-4-3-5-7-16/h3-11H,12H2,1-2H3,(H,19,20).
What are the key properties of 5-methyl-4-[(4-methylphenyl)methyl]-2-phenyl-1H-imidazole?
5-methyl-4-[(4-methylphenyl)methyl]-2-phenyl-1H-imidazole has a molecular weight of 262.36 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[(4-methylphenyl)methyl]-2-phenyl-1H-imidazole is sourced from PubChem (CID 19419957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).