6-chloro-2-[[3-(trifluoromethyl)phenoxy]methyl]-1H-benzimidazole

C15H10ClF3N2O — CID 2112207

IUPAC6-chloro-2-[[3-(trifluoromethyl)phenoxy]methyl]-1H-benzimidazole
SMILESFC(F)(F)c1cccc(OCc2nc3ccc(Cl)cc3[nH]2)c1
InChIInChI=1S/C15H10ClF3N2O/c16-10-4-5-12-13(7-10)21-14(20-12)8-22-11-3-1-2-9(6-11)15(17,18)19/h1-7H,8H2,(H,20,21)
InChIKeyYZXBHNMJIISJQF-UHFFFAOYSA-N
MW326.71 g/mol
LogP4.81
Rot. Bonds3

About 6-chloro-2-[[3-(trifluoromethyl)phenoxy]methyl]-1H-benzimidazole

6-chloro-2-[[3-(trifluoromethyl)phenoxy]methyl]-1H-benzimidazole (PubChem CID 2112207) has the molecular formula C15H10ClF3N2O and a molecular weight of 326.71 g/mol. Its IUPAC name is 6-chloro-2-[[3-(trifluoromethyl)phenoxy]methyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-chloro-2-[[3-(trifluoromethyl)phenoxy]methyl]-1H-benzimidazole
PubChem CID2112207
Molecular FormulaC15H10ClF3N2O
Molecular Weight326.71 g/mol
Exact Mass326.04
IUPAC Name6-chloro-2-[[3-(trifluoromethyl)phenoxy]methyl]-1H-benzimidazole
SMILESFC(F)(F)c1cccc(OCc2nc3ccc(Cl)cc3[nH]2)c1
InChIInChI=1S/C15H10ClF3N2O/c16-10-4-5-12-13(7-10)21-14(20-12)8-22-11-3-1-2-9(6-11)15(17,18)19/h1-7H,8H2,(H,20,21)
InChIKeyYZXBHNMJIISJQF-UHFFFAOYSA-N
XLogP4.81
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.71
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,6-dichloro-2-[(3-chlorophenoxy)methyl]-1H-benzimidazole
CID 82004585
2-[(3-chlorophenyl)methyl]-6-(trifluoromethyl)-1H-benzimidazole
CID 81455928
6-chloro-2-[(2-methylphenoxy)methyl]-1H-benzimidazole
CID 26820083
2,4-dichloro-5-[[3-(trifluoromethyl)phenoxy]methyl]pyridine
CID 116519388
2-[(4-chlorophenoxy)methyl]-5,6-difluoro-1H-benzimidazole
CID 60979188
3-chloro-5-(trifluoromethyl)-2-[[3-(trifluoromethyl)phenoxy]methyl]pyridine
CID 2780427
2-(ethoxymethyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81455926
3-[(5,6-difluoro-1H-benzimidazol-2-yl)methoxy]aniline
CID 63747407
5,6-difluoro-2-(phenoxymethyl)-1H-benzimidazole
CID 55025178
3-[(6-bromo-1H-benzimidazol-2-yl)methoxy]aniline
CID 63747420
6-methoxy-2-[(3-methylphenoxy)methyl]-1H-benzimidazole
CID 27408365
2-[(2,4-dichlorophenoxy)methyl]-3H-benzimidazole-5-carboxylic acid
CID 24812205

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[[3-(trifluoromethyl)phenoxy]methyl]-1H-benzimidazole?
The IUPAC name of 6-chloro-2-[[3-(trifluoromethyl)phenoxy]methyl]-1H-benzimidazole (CID 2112207) is 6-chloro-2-[[3-(trifluoromethyl)phenoxy]methyl]-1H-benzimidazole.
What is the SMILES notation for 6-chloro-2-[[3-(trifluoromethyl)phenoxy]methyl]-1H-benzimidazole?
The canonical SMILES for 6-chloro-2-[[3-(trifluoromethyl)phenoxy]methyl]-1H-benzimidazole is FC(F)(F)c1cccc(OCc2nc3ccc(Cl)cc3[nH]2)c1.
What is the InChIKey of 6-chloro-2-[[3-(trifluoromethyl)phenoxy]methyl]-1H-benzimidazole?
The InChIKey is YZXBHNMJIISJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N2O/c16-10-4-5-12-13(7-10)21-14(20-12)8-22-11-3-1-2-9(6-11)15(17,18)19/h1-7H,8H2,(H,20,21).
What are the key properties of 6-chloro-2-[[3-(trifluoromethyl)phenoxy]methyl]-1H-benzimidazole?
6-chloro-2-[[3-(trifluoromethyl)phenoxy]methyl]-1H-benzimidazole has a molecular weight of 326.71 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[[3-(trifluoromethyl)phenoxy]methyl]-1H-benzimidazole is sourced from PubChem (CID 2112207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).