2-(2-chlorophenyl)-4-methyl-1-[4-(3-methylphenyl)phenyl]imidazole;ethane

C29H37ClN2 — CID 90929426

IUPAC2-(2-chlorophenyl)-4-methyl-1-[4-(3-methylphenyl)phenyl]imidazole;ethane
SMILESCC.CC.CC.Cc1cccc(-c2ccc(-n3cc(C)nc3-c3ccccc3Cl)cc2)c1
InChIInChI=1S/C23H19ClN2.3C2H6/c1-16-6-5-7-19(14-16)18-10-12-20(13-11-18)26-15-17(2)25-23(26)21-8-3-4-9-22(21)24;3*1-2/h3-15H,1-2H3;3*1-2H3
InChIKeyIXXJRYBVVVZBGH-UHFFFAOYSA-N
MW449.08 g/mol
LogP9.56
Rot. Bonds3

About 2-(2-chlorophenyl)-4-methyl-1-[4-(3-methylphenyl)phenyl]imidazole;ethane

2-(2-chlorophenyl)-4-methyl-1-[4-(3-methylphenyl)phenyl]imidazole;ethane (PubChem CID 90929426) has the molecular formula C29H37ClN2 and a molecular weight of 449.08 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-methyl-1-[4-(3-methylphenyl)phenyl]imidazole;ethane.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-methyl-1-[4-(3-methylphenyl)phenyl]imidazole;ethane
PubChem CID90929426
Molecular FormulaC29H37ClN2
Molecular Weight449.08 g/mol
Exact Mass448.26
IUPAC Name2-(2-chlorophenyl)-4-methyl-1-[4-(3-methylphenyl)phenyl]imidazole;ethane
SMILESCC.CC.CC.Cc1cccc(-c2ccc(-n3cc(C)nc3-c3ccccc3Cl)cc2)c1
InChIInChI=1S/C23H19ClN2.3C2H6/c1-16-6-5-7-19(14-16)18-10-12-20(13-11-18)26-15-17(2)25-23(26)21-8-3-4-9-22(21)24;3*1-2/h3-15H,1-2H3;3*1-2H3
InChIKeyIXXJRYBVVVZBGH-UHFFFAOYSA-N
XLogP9.56
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.08
LogP ≤ 59.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4-methyl-1-[4-(3-methylphenyl)phenyl]imidazole;ethane?
The IUPAC name of 2-(2-chlorophenyl)-4-methyl-1-[4-(3-methylphenyl)phenyl]imidazole;ethane (CID 90929426) is 2-(2-chlorophenyl)-4-methyl-1-[4-(3-methylphenyl)phenyl]imidazole;ethane.
What is the SMILES notation for 2-(2-chlorophenyl)-4-methyl-1-[4-(3-methylphenyl)phenyl]imidazole;ethane?
The canonical SMILES for 2-(2-chlorophenyl)-4-methyl-1-[4-(3-methylphenyl)phenyl]imidazole;ethane is CC.CC.CC.Cc1cccc(-c2ccc(-n3cc(C)nc3-c3ccccc3Cl)cc2)c1.
What is the InChIKey of 2-(2-chlorophenyl)-4-methyl-1-[4-(3-methylphenyl)phenyl]imidazole;ethane?
The InChIKey is IXXJRYBVVVZBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2.3C2H6/c1-16-6-5-7-19(14-16)18-10-12-20(13-11-18)26-15-17(2)25-23(26)21-8-3-4-9-22(21)24;3*1-2/h3-15H,1-2H3;3*1-2H3.
What are the key properties of 2-(2-chlorophenyl)-4-methyl-1-[4-(3-methylphenyl)phenyl]imidazole;ethane?
2-(2-chlorophenyl)-4-methyl-1-[4-(3-methylphenyl)phenyl]imidazole;ethane has a molecular weight of 449.08 g/mol, XLogP of 9.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4-methyl-1-[4-(3-methylphenyl)phenyl]imidazole;ethane is sourced from PubChem (CID 90929426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).