1-benzyl-2-[(3,5-dimethylphenoxy)methyl]-5-(trifluoromethyl)benzimidazole

C24H21F3N2O — CID 4848547

IUPAC1-benzyl-2-[(3,5-dimethylphenoxy)methyl]-5-(trifluoromethyl)benzimidazole
SMILESCc1cc(C)cc(OCc2nc3cc(C(F)(F)F)ccc3n2Cc2ccccc2)c1
InChIInChI=1S/C24H21F3N2O/c1-16-10-17(2)12-20(11-16)30-15-23-28-21-13-19(24(25,26)27)8-9-22(21)29(23)14-18-6-4-3-5-7-18/h3-13H,14-15H2,1-2H3
InChIKeyNEUCWDBVWLWWDV-UHFFFAOYSA-N
MW410.44 g/mol
LogP6.30
Rot. Bonds5

About 1-benzyl-2-[(3,5-dimethylphenoxy)methyl]-5-(trifluoromethyl)benzimidazole

1-benzyl-2-[(3,5-dimethylphenoxy)methyl]-5-(trifluoromethyl)benzimidazole (PubChem CID 4848547) has the molecular formula C24H21F3N2O and a molecular weight of 410.44 g/mol. Its IUPAC name is 1-benzyl-2-[(3,5-dimethylphenoxy)methyl]-5-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name1-benzyl-2-[(3,5-dimethylphenoxy)methyl]-5-(trifluoromethyl)benzimidazole
PubChem CID4848547
Molecular FormulaC24H21F3N2O
Molecular Weight410.44 g/mol
Exact Mass410.16
IUPAC Name1-benzyl-2-[(3,5-dimethylphenoxy)methyl]-5-(trifluoromethyl)benzimidazole
SMILESCc1cc(C)cc(OCc2nc3cc(C(F)(F)F)ccc3n2Cc2ccccc2)c1
InChIInChI=1S/C24H21F3N2O/c1-16-10-17(2)12-20(11-16)30-15-23-28-21-13-19(24(25,26)27)8-9-22(21)29(23)14-18-6-4-3-5-7-18/h3-13H,14-15H2,1-2H3
InChIKeyNEUCWDBVWLWWDV-UHFFFAOYSA-N
XLogP6.30
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.44
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-dibenzyl-5-(trifluoromethyl)benzimidazole
CID 46310965
1-benzyl-2-methyl-5-(trifluoromethyl)benzimidazole
CID 757530
1-benzyl-2-(4-methylphenyl)-5-(trifluoromethyl)benzimidazole
CID 46310977
1-(2-methylpropyl)-2-(naphthalen-2-yloxymethyl)-5-(trifluoromethyl)benzimidazole
CID 46310823
1-benzyl-2-(phenoxymethyl)benzimidazole
CID 712249
N-(2-hydroxyethyl)-2-(phenoxymethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxamide
CID 134127039
2-[(4-benzylpiperazin-1-yl)methyl]-1-butyl-5-(trifluoromethyl)benzimidazole
CID 134084220
1-(3-ethoxypropyl)-2-(naphthalen-2-yloxymethyl)-5-(trifluoromethyl)benzimidazole
CID 46308658
2-[(2-chlorophenoxy)methyl]-1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazole
CID 46310157
2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-1-(2,4,6-trimethylphenyl)ethanone
CID 26434941
N-butyl-N-[3-[2-(naphthalen-2-yloxymethyl)-5-(trifluoromethyl)benzimidazol-1-yl]propyl]butan-1-amine
CID 46309609
1-benzyl-2-[(2,4-dimethylphenoxy)methyl]benzimidazole-5-carboxylic acid
CID 46310985

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-[(3,5-dimethylphenoxy)methyl]-5-(trifluoromethyl)benzimidazole?
The IUPAC name of 1-benzyl-2-[(3,5-dimethylphenoxy)methyl]-5-(trifluoromethyl)benzimidazole (CID 4848547) is 1-benzyl-2-[(3,5-dimethylphenoxy)methyl]-5-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 1-benzyl-2-[(3,5-dimethylphenoxy)methyl]-5-(trifluoromethyl)benzimidazole?
The canonical SMILES for 1-benzyl-2-[(3,5-dimethylphenoxy)methyl]-5-(trifluoromethyl)benzimidazole is Cc1cc(C)cc(OCc2nc3cc(C(F)(F)F)ccc3n2Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-2-[(3,5-dimethylphenoxy)methyl]-5-(trifluoromethyl)benzimidazole?
The InChIKey is NEUCWDBVWLWWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N2O/c1-16-10-17(2)12-20(11-16)30-15-23-28-21-13-19(24(25,26)27)8-9-22(21)29(23)14-18-6-4-3-5-7-18/h3-13H,14-15H2,1-2H3.
What are the key properties of 1-benzyl-2-[(3,5-dimethylphenoxy)methyl]-5-(trifluoromethyl)benzimidazole?
1-benzyl-2-[(3,5-dimethylphenoxy)methyl]-5-(trifluoromethyl)benzimidazole has a molecular weight of 410.44 g/mol, XLogP of 6.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-[(3,5-dimethylphenoxy)methyl]-5-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 4848547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).