1-benzyl-4-(2,4-dichlorophenyl)-2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazole

C30H21Cl2F3N2 — CID 141094182

IUPAC1-benzyl-4-(2,4-dichlorophenyl)-2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazole
SMILESFC(F)(F)c1ccc(-c2ccc(Cc3nc(-c4ccc(Cl)cc4Cl)cn3Cc3ccccc3)cc2)cc1
InChIInChI=1S/C30H21Cl2F3N2/c31-25-14-15-26(27(32)17-25)28-19-37(18-21-4-2-1-3-5-21)29(36-28)16-20-6-8-22(9-7-20)23-10-12-24(13-11-23)30(33,34)35/h1-15,17,19H,16,18H2
InChIKeyAXUDDAKQSJGNPE-UHFFFAOYSA-N
MW537.41 g/mol
LogP9.18
Rot. Bonds6

About 1-benzyl-4-(2,4-dichlorophenyl)-2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazole

1-benzyl-4-(2,4-dichlorophenyl)-2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazole (PubChem CID 141094182) has the molecular formula C30H21Cl2F3N2 and a molecular weight of 537.41 g/mol. Its IUPAC name is 1-benzyl-4-(2,4-dichlorophenyl)-2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazole.

Molecular Properties

Compound Name1-benzyl-4-(2,4-dichlorophenyl)-2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazole
PubChem CID141094182
Molecular FormulaC30H21Cl2F3N2
Molecular Weight537.41 g/mol
Exact Mass536.10
IUPAC Name1-benzyl-4-(2,4-dichlorophenyl)-2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazole
SMILESFC(F)(F)c1ccc(-c2ccc(Cc3nc(-c4ccc(Cl)cc4Cl)cn3Cc3ccccc3)cc2)cc1
InChIInChI=1S/C30H21Cl2F3N2/c31-25-14-15-26(27(32)17-25)28-19-37(18-21-4-2-1-3-5-21)29(36-28)16-20-6-8-22(9-7-20)23-10-12-24(13-11-23)30(33,34)35/h1-15,17,19H,16,18H2
InChIKeyAXUDDAKQSJGNPE-UHFFFAOYSA-N
XLogP9.18
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.41
LogP ≤ 59.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[4-(2,4-dichlorophenyl)-2-[[4-[4-(fluoromethyl)phenyl]phenyl]methyl]imidazol-1-yl]methyl]benzoic acid
CID 143094792
4-[[2-[[4-(3-aminophenyl)phenyl]methyl]-4-(2,4-dichlorophenyl)imidazol-1-yl]methyl]benzoic acid
CID 141121313
4-[[4-(2,4-dichlorophenyl)-2-[[4-[4-(4,4,4-trifluorobutoxy)phenyl]phenyl]methyl]imidazol-1-yl]methyl]benzoic acid
CID 58231185
4-(2,4-dichlorophenyl)-1-[(4-nitrophenyl)methyl]-2-[2-[4-(trifluoromethyl)phenyl]ethyl]imidazole
CID 58231257
N-[4-[[4-(2,4-dichlorophenyl)-2-[(E)-2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]phenyl]methanesulfonamide
CID 58231295
5-[4-(2,4-dichlorophenyl)-2-[[4-[4-[4-(trifluoromethyl)phenoxy]phenyl]phenyl]methyl]imidazol-1-yl]-2-methylsulfonylbenzoic acid
CID 58231150
4-[4-(2,4-dichlorophenyl)-2-[[4-[4-[3-(trifluoromethyl)phenoxy]phenyl]phenyl]methyl]imidazol-1-yl]-N-methylbenzamide
CID 58231269
5-[4-(2,4-dichlorophenyl)-2-[[4-(4-hydroxyphenyl)phenyl]methyl]imidazol-1-yl]-2-(trifluoromethyl)benzoic acid
CID 52918806
2,4-dichloro-1-[4-(trifluoromethyl)phenyl]benzene
CID 54501466
2-[4-[4-[[4-(2,4-dichlorophenyl)-1-ethylimidazol-2-yl]methyl]phenyl]phenoxy]-2-(4-fluorophenyl)acetic acid
CID 58231248
1-benzyl-4-(2,4-dichlorophenyl)-2-[2-[4-(4-methoxyphenyl)phenyl]ethenyl]imidazole
CID 67049290
N-[2-benzyl-4-(2,4-dichlorophenyl)imidazol-1-yl]acetamide
CID 15733135

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(2,4-dichlorophenyl)-2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazole?
The IUPAC name of 1-benzyl-4-(2,4-dichlorophenyl)-2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazole (CID 141094182) is 1-benzyl-4-(2,4-dichlorophenyl)-2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazole.
What is the SMILES notation for 1-benzyl-4-(2,4-dichlorophenyl)-2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazole?
The canonical SMILES for 1-benzyl-4-(2,4-dichlorophenyl)-2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazole is FC(F)(F)c1ccc(-c2ccc(Cc3nc(-c4ccc(Cl)cc4Cl)cn3Cc3ccccc3)cc2)cc1.
What is the InChIKey of 1-benzyl-4-(2,4-dichlorophenyl)-2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazole?
The InChIKey is AXUDDAKQSJGNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21Cl2F3N2/c31-25-14-15-26(27(32)17-25)28-19-37(18-21-4-2-1-3-5-21)29(36-28)16-20-6-8-22(9-7-20)23-10-12-24(13-11-23)30(33,34)35/h1-15,17,19H,16,18H2.
What are the key properties of 1-benzyl-4-(2,4-dichlorophenyl)-2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazole?
1-benzyl-4-(2,4-dichlorophenyl)-2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazole has a molecular weight of 537.41 g/mol, XLogP of 9.18, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(2,4-dichlorophenyl)-2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazole is sourced from PubChem (CID 141094182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).