6-chloro-2-(phenoxymethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazole

C22H16ClF3N2O2 — CID 134126909

IUPAC6-chloro-2-(phenoxymethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazole
SMILESFC(F)(F)Oc1ccc(Cn2c(COc3ccccc3)nc3ccc(Cl)cc32)cc1
InChIInChI=1S/C22H16ClF3N2O2/c23-16-8-11-19-20(12-16)28(21(27-19)14-29-17-4-2-1-3-5-17)13-15-6-9-18(10-7-15)30-22(24,25)26/h1-12H,13-14H2
InChIKeyQMVXWJLKXOXGCS-UHFFFAOYSA-N
MW432.83 g/mol
LogP6.22
Rot. Bonds6

About 6-chloro-2-(phenoxymethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazole

6-chloro-2-(phenoxymethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazole (PubChem CID 134126909) has the molecular formula C22H16ClF3N2O2 and a molecular weight of 432.83 g/mol. Its IUPAC name is 6-chloro-2-(phenoxymethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazole.

Molecular Properties

Compound Name6-chloro-2-(phenoxymethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazole
PubChem CID134126909
Molecular FormulaC22H16ClF3N2O2
Molecular Weight432.83 g/mol
Exact Mass432.09
IUPAC Name6-chloro-2-(phenoxymethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazole
SMILESFC(F)(F)Oc1ccc(Cn2c(COc3ccccc3)nc3ccc(Cl)cc32)cc1
InChIInChI=1S/C22H16ClF3N2O2/c23-16-8-11-19-20(12-16)28(21(27-19)14-29-17-4-2-1-3-5-17)13-15-6-9-18(10-7-15)30-22(24,25)26/h1-12H,13-14H2
InChIKeyQMVXWJLKXOXGCS-UHFFFAOYSA-N
XLogP6.22
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.83
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(phenoxymethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-f]quinoline
CID 134126952
1-[4-[6-fluoro-2-(phenoxymethyl)-3-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazol-5-yl]piperazin-1-yl]propan-2-one
CID 69343002
6-chloro-1-(2-methoxyethyl)-2-(phenoxymethyl)benzimidazole
CID 46309145
1-benzyl-2-(phenoxymethyl)benzimidazole
CID 712249
2-ethoxy-4-[[1-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazol-2-yl]methoxy]benzoic acid
CID 142221242
1-[(4-bromophenyl)methyl]-2-[(4-chlorophenoxy)methyl]benzimidazole
CID 16997072
1,2-dibenzyl-6-chlorobenzimidazole
CID 46311010
(1-benzyl-6-chlorobenzimidazol-2-yl)methanol
CID 46311001
2-[(4-chlorophenoxy)methyl]-1-[(2,4-dichlorophenyl)methyl]benzimidazole
CID 3789114
6-chloro-1-(2-methylpropyl)-2-(naphthalen-2-yloxymethyl)benzimidazole
CID 46310916
5-ethoxy-2-(methoxymethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazole
CID 134126943
1-[(3-methoxyphenyl)methyl]-2-(phenoxymethyl)benzimidazole
CID 71620987

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(phenoxymethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazole?
The IUPAC name of 6-chloro-2-(phenoxymethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazole (CID 134126909) is 6-chloro-2-(phenoxymethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazole.
What is the SMILES notation for 6-chloro-2-(phenoxymethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazole?
The canonical SMILES for 6-chloro-2-(phenoxymethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazole is FC(F)(F)Oc1ccc(Cn2c(COc3ccccc3)nc3ccc(Cl)cc32)cc1.
What is the InChIKey of 6-chloro-2-(phenoxymethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazole?
The InChIKey is QMVXWJLKXOXGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClF3N2O2/c23-16-8-11-19-20(12-16)28(21(27-19)14-29-17-4-2-1-3-5-17)13-15-6-9-18(10-7-15)30-22(24,25)26/h1-12H,13-14H2.
What are the key properties of 6-chloro-2-(phenoxymethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazole?
6-chloro-2-(phenoxymethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazole has a molecular weight of 432.83 g/mol, XLogP of 6.22, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(phenoxymethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazole is sourced from PubChem (CID 134126909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).