2-(phenoxymethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-f]quinoline

C25H18F3N3O2 — CID 134126952

IUPAC2-(phenoxymethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-f]quinoline
SMILESFC(F)(F)Oc1ccc(Cn2c(COc3ccccc3)nc3ccc4ncccc4c32)cc1
InChIInChI=1S/C25H18F3N3O2/c26-25(27,28)33-19-10-8-17(9-11-19)15-31-23(16-32-18-5-2-1-3-6-18)30-22-13-12-21-20(24(22)31)7-4-14-29-21/h1-14H,15-16H2
InChIKeyMLMSEKSQZSLZQL-UHFFFAOYSA-N
MW449.43 g/mol
LogP6.11
Rot. Bonds6

About 2-(phenoxymethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-f]quinoline

2-(phenoxymethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-f]quinoline (PubChem CID 134126952) has the molecular formula C25H18F3N3O2 and a molecular weight of 449.43 g/mol. Its IUPAC name is 2-(phenoxymethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-f]quinoline.

Molecular Properties

Compound Name2-(phenoxymethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-f]quinoline
PubChem CID134126952
Molecular FormulaC25H18F3N3O2
Molecular Weight449.43 g/mol
Exact Mass449.14
IUPAC Name2-(phenoxymethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-f]quinoline
SMILESFC(F)(F)Oc1ccc(Cn2c(COc3ccccc3)nc3ccc4ncccc4c32)cc1
InChIInChI=1S/C25H18F3N3O2/c26-25(27,28)33-19-10-8-17(9-11-19)15-31-23(16-32-18-5-2-1-3-6-18)30-22-13-12-21-20(24(22)31)7-4-14-29-21/h1-14H,15-16H2
InChIKeyMLMSEKSQZSLZQL-UHFFFAOYSA-N
XLogP6.11
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.43
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-2-(phenoxymethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazole
CID 134126909
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-[6-fluoro-2-(phenoxymethyl)-3-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazol-5-yl]piperazin-1-yl]propan-2-one
CID 69343002
(3S)-3-benzyl-4-hydroxy-2-[[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]methyl]butanamide
CID 140836352
1-benzyl-2-[(3,5-dimethylphenoxy)methyl]-5-(trifluoromethyl)benzimidazole
CID 4848547
5-ethoxy-2-(methoxymethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazole
CID 134126943
2-[[4-(trifluoromethoxy)phenyl]methyl]pyrimidine
CID 68630973
6-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-1-yl]quinolin-5-ol
CID 136653792
quinolin-5-yl-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone
CID 37358886
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
CID 122445665
3-[[4-(1,1-difluoroethoxy)phenyl]methyl]-2-propylimidazo[4,5-b]pyridine
CID 145133101

Frequently Asked Questions

What is the IUPAC name of 2-(phenoxymethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-f]quinoline?
The IUPAC name of 2-(phenoxymethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-f]quinoline (CID 134126952) is 2-(phenoxymethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-f]quinoline.
What is the SMILES notation for 2-(phenoxymethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-f]quinoline?
The canonical SMILES for 2-(phenoxymethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-f]quinoline is FC(F)(F)Oc1ccc(Cn2c(COc3ccccc3)nc3ccc4ncccc4c32)cc1.
What is the InChIKey of 2-(phenoxymethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-f]quinoline?
The InChIKey is MLMSEKSQZSLZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F3N3O2/c26-25(27,28)33-19-10-8-17(9-11-19)15-31-23(16-32-18-5-2-1-3-6-18)30-22-13-12-21-20(24(22)31)7-4-14-29-21/h1-14H,15-16H2.
What are the key properties of 2-(phenoxymethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-f]quinoline?
2-(phenoxymethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-f]quinoline has a molecular weight of 449.43 g/mol, XLogP of 6.11, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenoxymethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-f]quinoline is sourced from PubChem (CID 134126952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).