5-methyl-2-[3-[[4-[5-methyl-2-[3-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]phenyl]methyl]phenyl]-4-phenyl-1H-imidazole

C34H27F3N4 — CID 142406867

IUPAC5-methyl-2-[3-[[4-[5-methyl-2-[3-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]phenyl]methyl]phenyl]-4-phenyl-1H-imidazole
SMILESCc1[nH]c(-c2cccc(Cc3ccc(-c4nc(-c5cccc(C(F)(F)F)c5)[nH]c4C)cc3)c2)nc1-c1ccccc1
InChIInChI=1S/C34H27F3N4/c1-21-30(25-9-4-3-5-10-25)40-32(38-21)27-11-6-8-24(19-27)18-23-14-16-26(17-15-23)31-22(2)39-33(41-31)28-12-7-13-29(20-28)34(35,36)37/h3-17,19-20H,18H2,1-2H3,(H,38,40)(H,39,41)
InChIKeyOIUGQUHCWLTVPN-UHFFFAOYSA-N
MW548.61 g/mol
LogP9.03
Rot. Bonds6

About 5-methyl-2-[3-[[4-[5-methyl-2-[3-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]phenyl]methyl]phenyl]-4-phenyl-1H-imidazole

5-methyl-2-[3-[[4-[5-methyl-2-[3-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]phenyl]methyl]phenyl]-4-phenyl-1H-imidazole (PubChem CID 142406867) has the molecular formula C34H27F3N4 and a molecular weight of 548.61 g/mol. Its IUPAC name is 5-methyl-2-[3-[[4-[5-methyl-2-[3-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]phenyl]methyl]phenyl]-4-phenyl-1H-imidazole.

Molecular Properties

Compound Name5-methyl-2-[3-[[4-[5-methyl-2-[3-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]phenyl]methyl]phenyl]-4-phenyl-1H-imidazole
PubChem CID142406867
Molecular FormulaC34H27F3N4
Molecular Weight548.61 g/mol
Exact Mass548.22
IUPAC Name5-methyl-2-[3-[[4-[5-methyl-2-[3-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]phenyl]methyl]phenyl]-4-phenyl-1H-imidazole
SMILESCc1[nH]c(-c2cccc(Cc3ccc(-c4nc(-c5cccc(C(F)(F)F)c5)[nH]c4C)cc3)c2)nc1-c1ccccc1
InChIInChI=1S/C34H27F3N4/c1-21-30(25-9-4-3-5-10-25)40-32(38-21)27-11-6-8-24(19-27)18-23-14-16-26(17-15-23)31-22(2)39-33(41-31)28-12-7-13-29(20-28)34(35,36)37/h3-17,19-20H,18H2,1-2H3,(H,38,40)(H,39,41)
InChIKeyOIUGQUHCWLTVPN-UHFFFAOYSA-N
XLogP9.03
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.61
LogP ≤ 59.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-2-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazole
CID 153289392
[3-(5-methyl-4-phenyl-1H-imidazol-2-yl)phenyl]methanamine
CID 103386831
2-(4-methoxyphenyl)-5-methyl-4-[4-[[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)phenyl]methyl]phenyl]-1H-imidazole
CID 142406883
1-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzene
CID 122368794
5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-imidazole
CID 142636183
2-[(4-fluorophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine
CID 87237269
2-(3,5-dichlorophenyl)-5-methyl-4-phenyl-1H-imidazole
CID 23103031
5-methyl-4-[(4-methylphenyl)methyl]-2-phenyl-1H-imidazole
CID 19419957
4,5-diiodo-2-[3-(trifluoromethyl)phenyl]-1H-imidazole
CID 67133332
2-methyl-5-[(4-phenylphenyl)methyl]-4-trityl-1H-imidazole
CID 70342160
2-[5-[4-(1,1-difluoroethyl)phenyl]furan-2-yl]-5-methyl-4-phenyl-1H-imidazole
CID 145093347
5-benzyl-2,4-diphenyl-1H-imidazole
CID 175414335

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[3-[[4-[5-methyl-2-[3-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]phenyl]methyl]phenyl]-4-phenyl-1H-imidazole?
The IUPAC name of 5-methyl-2-[3-[[4-[5-methyl-2-[3-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]phenyl]methyl]phenyl]-4-phenyl-1H-imidazole (CID 142406867) is 5-methyl-2-[3-[[4-[5-methyl-2-[3-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]phenyl]methyl]phenyl]-4-phenyl-1H-imidazole.
What is the SMILES notation for 5-methyl-2-[3-[[4-[5-methyl-2-[3-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]phenyl]methyl]phenyl]-4-phenyl-1H-imidazole?
The canonical SMILES for 5-methyl-2-[3-[[4-[5-methyl-2-[3-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]phenyl]methyl]phenyl]-4-phenyl-1H-imidazole is Cc1[nH]c(-c2cccc(Cc3ccc(-c4nc(-c5cccc(C(F)(F)F)c5)[nH]c4C)cc3)c2)nc1-c1ccccc1.
What is the InChIKey of 5-methyl-2-[3-[[4-[5-methyl-2-[3-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]phenyl]methyl]phenyl]-4-phenyl-1H-imidazole?
The InChIKey is OIUGQUHCWLTVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H27F3N4/c1-21-30(25-9-4-3-5-10-25)40-32(38-21)27-11-6-8-24(19-27)18-23-14-16-26(17-15-23)31-22(2)39-33(41-31)28-12-7-13-29(20-28)34(35,36)37/h3-17,19-20H,18H2,1-2H3,(H,38,40)(H,39,41).
What are the key properties of 5-methyl-2-[3-[[4-[5-methyl-2-[3-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]phenyl]methyl]phenyl]-4-phenyl-1H-imidazole?
5-methyl-2-[3-[[4-[5-methyl-2-[3-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]phenyl]methyl]phenyl]-4-phenyl-1H-imidazole has a molecular weight of 548.61 g/mol, XLogP of 9.03, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[3-[[4-[5-methyl-2-[3-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]phenyl]methyl]phenyl]-4-phenyl-1H-imidazole is sourced from PubChem (CID 142406867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).