4-[2,7-dimethyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]benzimidazol-5-yl]morpholine

C22H24F3N3O — CID 56960826

IUPAC4-[2,7-dimethyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]benzimidazol-5-yl]morpholine
SMILESCc1c(Cn2c(C)nc3c(C)cc(N4CCOCC4)cc32)cccc1C(F)(F)F
InChIInChI=1S/C22H24F3N3O/c1-14-11-18(27-7-9-29-10-8-27)12-20-21(14)26-16(3)28(20)13-17-5-4-6-19(15(17)2)22(23,24)25/h4-6,11-12H,7-10,13H2,1-3H3
InChIKeyOQFQTWGTHXBFNN-UHFFFAOYSA-N
MW403.45 g/mol
LogP4.87
Rot. Bonds3

About 4-[2,7-dimethyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]benzimidazol-5-yl]morpholine

4-[2,7-dimethyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]benzimidazol-5-yl]morpholine (PubChem CID 56960826) has the molecular formula C22H24F3N3O and a molecular weight of 403.45 g/mol. Its IUPAC name is 4-[2,7-dimethyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]benzimidazol-5-yl]morpholine.

Molecular Properties

Compound Name4-[2,7-dimethyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]benzimidazol-5-yl]morpholine
PubChem CID56960826
Molecular FormulaC22H24F3N3O
Molecular Weight403.45 g/mol
Exact Mass403.19
IUPAC Name4-[2,7-dimethyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]benzimidazol-5-yl]morpholine
SMILESCc1c(Cn2c(C)nc3c(C)cc(N4CCOCC4)cc32)cccc1C(F)(F)F
InChIInChI=1S/C22H24F3N3O/c1-14-11-18(27-7-9-29-10-8-27)12-20-21(14)26-16(3)28(20)13-17-5-4-6-19(15(17)2)22(23,24)25/h4-6,11-12H,7-10,13H2,1-3H3
InChIKeyOQFQTWGTHXBFNN-UHFFFAOYSA-N
XLogP4.87
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[2,7-dimethyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]benzimidazol-5-yl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2,7-dimethyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]benzimidazol-5-yl]morpholine?
The IUPAC name of 4-[2,7-dimethyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]benzimidazol-5-yl]morpholine (CID 56960826) is 4-[2,7-dimethyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]benzimidazol-5-yl]morpholine.
What is the SMILES notation for 4-[2,7-dimethyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]benzimidazol-5-yl]morpholine?
The canonical SMILES for 4-[2,7-dimethyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]benzimidazol-5-yl]morpholine is Cc1c(Cn2c(C)nc3c(C)cc(N4CCOCC4)cc32)cccc1C(F)(F)F.
What is the InChIKey of 4-[2,7-dimethyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]benzimidazol-5-yl]morpholine?
The InChIKey is OQFQTWGTHXBFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N3O/c1-14-11-18(27-7-9-29-10-8-27)12-20-21(14)26-16(3)28(20)13-17-5-4-6-19(15(17)2)22(23,24)25/h4-6,11-12H,7-10,13H2,1-3H3.
What are the key properties of 4-[2,7-dimethyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]benzimidazol-5-yl]morpholine?
4-[2,7-dimethyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]benzimidazol-5-yl]morpholine has a molecular weight of 403.45 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,7-dimethyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]benzimidazol-5-yl]morpholine is sourced from PubChem (CID 56960826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).