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

C17H16N2 — CID 158996329

IUPAC2-methyl-5-(4-methylphenyl)-4-phenyl-1H-imidazole
SMILESCc1ccc(-c2[nH]c(C)nc2-c2ccccc2)cc1
InChIInChI=1S/C17H16N2/c1-12-8-10-15(11-9-12)17-16(18-13(2)19-17)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,18,19)
InChIKeySTTUSJMLTMTCIF-UHFFFAOYSA-N
MW248.33 g/mol
LogP4.36
Rot. Bonds2

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

2-methyl-5-(4-methylphenyl)-4-phenyl-1H-imidazole (PubChem CID 158996329) has the molecular formula C17H16N2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-methyl-5-(4-methylphenyl)-4-phenyl-1H-imidazole.

Molecular Properties

Compound Name2-methyl-5-(4-methylphenyl)-4-phenyl-1H-imidazole
PubChem CID158996329
Molecular FormulaC17H16N2
Molecular Weight248.33 g/mol
Exact Mass248.13
IUPAC Name2-methyl-5-(4-methylphenyl)-4-phenyl-1H-imidazole
SMILESCc1ccc(-c2[nH]c(C)nc2-c2ccccc2)cc1
InChIInChI=1S/C17H16N2/c1-12-8-10-15(11-9-12)17-16(18-13(2)19-17)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,18,19)
InChIKeySTTUSJMLTMTCIF-UHFFFAOYSA-N
XLogP4.36
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(4-methylphenyl)-4-phenyl-1H-imidazole?
The IUPAC name of 2-methyl-5-(4-methylphenyl)-4-phenyl-1H-imidazole (CID 158996329) is 2-methyl-5-(4-methylphenyl)-4-phenyl-1H-imidazole.
What is the SMILES notation for 2-methyl-5-(4-methylphenyl)-4-phenyl-1H-imidazole?
The canonical SMILES for 2-methyl-5-(4-methylphenyl)-4-phenyl-1H-imidazole is Cc1ccc(-c2[nH]c(C)nc2-c2ccccc2)cc1.
What is the InChIKey of 2-methyl-5-(4-methylphenyl)-4-phenyl-1H-imidazole?
The InChIKey is STTUSJMLTMTCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2/c1-12-8-10-15(11-9-12)17-16(18-13(2)19-17)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,18,19).
What are the key properties of 2-methyl-5-(4-methylphenyl)-4-phenyl-1H-imidazole?
2-methyl-5-(4-methylphenyl)-4-phenyl-1H-imidazole has a molecular weight of 248.33 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(4-methylphenyl)-4-phenyl-1H-imidazole is sourced from PubChem (CID 158996329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).