2-(2,4-dimethylphenyl)-1-(2-methoxyethyl)-5-(trifluoromethyl)benzimidazole

C19H19F3N2O — CID 46309081

IUPAC2-(2,4-dimethylphenyl)-1-(2-methoxyethyl)-5-(trifluoromethyl)benzimidazole
SMILESCOCCn1c(-c2ccc(C)cc2C)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C19H19F3N2O/c1-12-4-6-15(13(2)10-12)18-23-16-11-14(19(20,21)22)5-7-17(16)24(18)8-9-25-3/h4-7,10-11H,8-9H2,1-3H3
InChIKeySVOBYAUGTPGRHU-UHFFFAOYSA-N
MW348.37 g/mol
LogP4.99
Rot. Bonds4

About 2-(2,4-dimethylphenyl)-1-(2-methoxyethyl)-5-(trifluoromethyl)benzimidazole

2-(2,4-dimethylphenyl)-1-(2-methoxyethyl)-5-(trifluoromethyl)benzimidazole (PubChem CID 46309081) has the molecular formula C19H19F3N2O and a molecular weight of 348.37 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-1-(2-methoxyethyl)-5-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-1-(2-methoxyethyl)-5-(trifluoromethyl)benzimidazole
PubChem CID46309081
Molecular FormulaC19H19F3N2O
Molecular Weight348.37 g/mol
Exact Mass348.14
IUPAC Name2-(2,4-dimethylphenyl)-1-(2-methoxyethyl)-5-(trifluoromethyl)benzimidazole
SMILESCOCCn1c(-c2ccc(C)cc2C)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C19H19F3N2O/c1-12-4-6-15(13(2)10-12)18-23-16-11-14(19(20,21)22)5-7-17(16)24(18)8-9-25-3/h4-7,10-11H,8-9H2,1-3H3
InChIKeySVOBYAUGTPGRHU-UHFFFAOYSA-N
XLogP4.99
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxypropyl)-2-(2-methylphenyl)-5-(trifluoromethyl)benzimidazole
CID 46308540
[1-(2-methoxyethyl)-5-(trifluoromethyl)benzimidazol-2-yl]azanide
CID 158004110
2-[2-(2-methylphenyl)-5-(trifluoromethyl)benzimidazol-1-yl]ethanol
CID 46308134
2-(methoxymethyl)-1-(3-methoxypropyl)-5-(trifluoromethyl)benzimidazole
CID 46308515
2-(2,4-dimethylphenyl)-1-[2-(4-methoxyphenoxy)ethyl]benzimidazole
CID 16987578
2-(chloromethyl)-1-(2-methoxyethyl)-5-methylbenzimidazole
CID 43660301
2-phenyl-1-propyl-5-(trifluoromethyl)benzimidazole
CID 46310703
2-(2,4-dimethylphenyl)-1-[2-(2-ethoxyphenoxy)ethyl]benzimidazole
CID 16987564
2-[1-(2-methoxyethyl)-5-methylbenzimidazol-2-yl]ethanamine
CID 171338197
3-methoxy-1-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]propan-1-amine
CID 81456416
1-benzyl-2-(4-methylphenyl)-5-(trifluoromethyl)benzimidazole
CID 46310977
2-(2,4-dimethylphenyl)-1-[3-(3-methoxyphenoxy)propyl]benzimidazole
CID 16987595

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-1-(2-methoxyethyl)-5-(trifluoromethyl)benzimidazole?
The IUPAC name of 2-(2,4-dimethylphenyl)-1-(2-methoxyethyl)-5-(trifluoromethyl)benzimidazole (CID 46309081) is 2-(2,4-dimethylphenyl)-1-(2-methoxyethyl)-5-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-1-(2-methoxyethyl)-5-(trifluoromethyl)benzimidazole?
The canonical SMILES for 2-(2,4-dimethylphenyl)-1-(2-methoxyethyl)-5-(trifluoromethyl)benzimidazole is COCCn1c(-c2ccc(C)cc2C)nc2cc(C(F)(F)F)ccc21.
What is the InChIKey of 2-(2,4-dimethylphenyl)-1-(2-methoxyethyl)-5-(trifluoromethyl)benzimidazole?
The InChIKey is SVOBYAUGTPGRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O/c1-12-4-6-15(13(2)10-12)18-23-16-11-14(19(20,21)22)5-7-17(16)24(18)8-9-25-3/h4-7,10-11H,8-9H2,1-3H3.
What are the key properties of 2-(2,4-dimethylphenyl)-1-(2-methoxyethyl)-5-(trifluoromethyl)benzimidazole?
2-(2,4-dimethylphenyl)-1-(2-methoxyethyl)-5-(trifluoromethyl)benzimidazole has a molecular weight of 348.37 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-1-(2-methoxyethyl)-5-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 46309081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).