2,4-dimethyl-1-[2-[4-[4-(trifluoromethoxy)phenyl]phenyl]ethoxy]benzimidazole

C24H21F3N2O2 — CID 134123960

IUPAC2,4-dimethyl-1-[2-[4-[4-(trifluoromethoxy)phenyl]phenyl]ethoxy]benzimidazole
SMILESCc1cccc2c1nc(C)n2OCCc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C24H21F3N2O2/c1-16-4-3-5-22-23(16)28-17(2)29(22)30-15-14-18-6-8-19(9-7-18)20-10-12-21(13-11-20)31-24(25,26)27/h3-13H,14-15H2,1-2H3
InChIKeyZXBLUYXQLZOOKX-UHFFFAOYSA-N
MW426.44 g/mol
LogP5.89
Rot. Bonds6

About 2,4-dimethyl-1-[2-[4-[4-(trifluoromethoxy)phenyl]phenyl]ethoxy]benzimidazole

2,4-dimethyl-1-[2-[4-[4-(trifluoromethoxy)phenyl]phenyl]ethoxy]benzimidazole (PubChem CID 134123960) has the molecular formula C24H21F3N2O2 and a molecular weight of 426.44 g/mol. Its IUPAC name is 2,4-dimethyl-1-[2-[4-[4-(trifluoromethoxy)phenyl]phenyl]ethoxy]benzimidazole.

Molecular Properties

Compound Name2,4-dimethyl-1-[2-[4-[4-(trifluoromethoxy)phenyl]phenyl]ethoxy]benzimidazole
PubChem CID134123960
Molecular FormulaC24H21F3N2O2
Molecular Weight426.44 g/mol
Exact Mass426.16
IUPAC Name2,4-dimethyl-1-[2-[4-[4-(trifluoromethoxy)phenyl]phenyl]ethoxy]benzimidazole
SMILESCc1cccc2c1nc(C)n2OCCc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C24H21F3N2O2/c1-16-4-3-5-22-23(16)28-17(2)29(22)30-15-14-18-6-8-19(9-7-18)20-10-12-21(13-11-20)31-24(25,26)27/h3-13H,14-15H2,1-2H3
InChIKeyZXBLUYXQLZOOKX-UHFFFAOYSA-N
XLogP5.89
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.44
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-pentyl-4-[4-[2-[4-(trifluoromethoxy)phenyl]ethyl]phenyl]benzene
CID 18984117
1-ethyl-4-[4-(trifluoromethoxy)phenyl]benzene
CID 19436313
1-butoxy-4-methyl-2-phenylbenzimidazole
CID 15514770
2-methyl-1-[4-(trifluoromethoxy)phenyl]-4-[9-[4-[4-(trifluoromethoxy)phenyl]phenyl]nonyl]benzene
CID 155259559
1-(2-phenylethyl)-4-(trifluoromethoxy)benzene
CID 91341581
2-methyl-1-[9-[4-[3-methyl-4-(trifluoromethoxy)phenyl]phenyl]nonyl]-4-[4-(trifluoromethoxy)phenyl]benzene
CID 155259554
1-hexyl-2-[4-(trifluoromethoxy)phenyl]benzimidazole
CID 134083950
1-methyl-7-(trifluoromethoxy)naphthalene
CID 118830496
3-[4-[4-(trifluoromethoxy)phenyl]phenyl]propanamide
CID 155345859
2-methoxy-8-methyl-3-[4-(trifluoromethoxy)phenyl]quinoline-4-carbonitrile
CID 141451748
[1-methyl-2-[4-(trifluoromethoxy)phenyl]benzimidazol-5-yl]methanol
CID 122424190
7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one
CID 70327949

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-[2-[4-[4-(trifluoromethoxy)phenyl]phenyl]ethoxy]benzimidazole?
The IUPAC name of 2,4-dimethyl-1-[2-[4-[4-(trifluoromethoxy)phenyl]phenyl]ethoxy]benzimidazole (CID 134123960) is 2,4-dimethyl-1-[2-[4-[4-(trifluoromethoxy)phenyl]phenyl]ethoxy]benzimidazole.
What is the SMILES notation for 2,4-dimethyl-1-[2-[4-[4-(trifluoromethoxy)phenyl]phenyl]ethoxy]benzimidazole?
The canonical SMILES for 2,4-dimethyl-1-[2-[4-[4-(trifluoromethoxy)phenyl]phenyl]ethoxy]benzimidazole is Cc1cccc2c1nc(C)n2OCCc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of 2,4-dimethyl-1-[2-[4-[4-(trifluoromethoxy)phenyl]phenyl]ethoxy]benzimidazole?
The InChIKey is ZXBLUYXQLZOOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N2O2/c1-16-4-3-5-22-23(16)28-17(2)29(22)30-15-14-18-6-8-19(9-7-18)20-10-12-21(13-11-20)31-24(25,26)27/h3-13H,14-15H2,1-2H3.
What are the key properties of 2,4-dimethyl-1-[2-[4-[4-(trifluoromethoxy)phenyl]phenyl]ethoxy]benzimidazole?
2,4-dimethyl-1-[2-[4-[4-(trifluoromethoxy)phenyl]phenyl]ethoxy]benzimidazole has a molecular weight of 426.44 g/mol, XLogP of 5.89, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-[2-[4-[4-(trifluoromethoxy)phenyl]phenyl]ethoxy]benzimidazole is sourced from PubChem (CID 134123960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).