2-(3-methylbenzimidazol-5-yl)-4-[[4-(trifluoromethyl)-2-pyridinyl]methyl]morpholine

C19H19F3N4O — CID 178060063

IUPAC2-(3-methylbenzimidazol-5-yl)-4-[[4-(trifluoromethyl)-2-pyridinyl]methyl]morpholine
SMILESCn1cnc2ccc(C3CN(Cc4cc(C(F)(F)F)ccn4)CCO3)cc21
InChIInChI=1S/C19H19F3N4O/c1-25-12-24-16-3-2-13(8-17(16)25)18-11-26(6-7-27-18)10-15-9-14(4-5-23-15)19(20,21)22/h2-5,8-9,12,18H,6-7,10-11H2,1H3
InChIKeyWMZQZJOBNKDDDN-UHFFFAOYSA-N
MW376.38 g/mol
LogP3.56
Rot. Bonds3

About 2-(3-methylbenzimidazol-5-yl)-4-[[4-(trifluoromethyl)-2-pyridinyl]methyl]morpholine

2-(3-methylbenzimidazol-5-yl)-4-[[4-(trifluoromethyl)-2-pyridinyl]methyl]morpholine (PubChem CID 178060063) has the molecular formula C19H19F3N4O and a molecular weight of 376.38 g/mol. Its IUPAC name is 2-(3-methylbenzimidazol-5-yl)-4-[[4-(trifluoromethyl)-2-pyridinyl]methyl]morpholine.

Molecular Properties

Compound Name2-(3-methylbenzimidazol-5-yl)-4-[[4-(trifluoromethyl)-2-pyridinyl]methyl]morpholine
PubChem CID178060063
Molecular FormulaC19H19F3N4O
Molecular Weight376.38 g/mol
Exact Mass376.15
IUPAC Name2-(3-methylbenzimidazol-5-yl)-4-[[4-(trifluoromethyl)-2-pyridinyl]methyl]morpholine
SMILESCn1cnc2ccc(C3CN(Cc4cc(C(F)(F)F)ccn4)CCO3)cc21
InChIInChI=1S/C19H19F3N4O/c1-25-12-24-16-3-2-13(8-17(16)25)18-11-26(6-7-27-18)10-15-9-14(4-5-23-15)19(20,21)22/h2-5,8-9,12,18H,6-7,10-11H2,1H3
InChIKeyWMZQZJOBNKDDDN-UHFFFAOYSA-N
XLogP3.56
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(3-methylbenzimidazol-5-yl)-4-[[4-(trifluoromethyl)-2-pyridinyl]methyl]morpholine with MolForge

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

Launch Full Analysis

Related Compounds

(2R)-2-(3-methylbenzimidazol-5-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]morpholine
CID 178059966
(2S)-4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-(3-methylbenzimidazol-5-yl)morpholine
CID 178060033
2-(3-methylbenzimidazol-5-yl)-4-[[2-(trifluoromethyl)-4-pyridinyl]methyl]morpholine
CID 178059884
4-[[3-methoxy-5-(trifluoromethyl)phenyl]methyl]-2-(3-methylbenzimidazol-5-yl)morpholine
CID 178059903
(2S)-2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-[(2R)-2-(3-methylbenzimidazol-5-yl)morpholin-4-yl]ethanol
CID 178059922
4-[[3-(1,1-difluoroethyl)phenyl]methyl]-2-(3-methylbenzimidazol-5-yl)morpholine;4-[(4-ethoxy-3,5-difluorophenyl)methyl]-2-(3-methylbenzimidazol-5-yl)morpholine
CID 178060043
(2S)-4-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-(1-methylpyrazol-4-yl)morpholine
CID 97160056
(2R)-2-(4-fluoro-3-methylphenyl)-4-(pyrimidin-2-ylmethyl)morpholine
CID 129402014
[3-[[2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752296
(2R)-4-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenyl]morpholine
CID 124615184
4-[(4-methyl-1H-pyrazol-5-yl)methyl]-2-[4-(trifluoromethyl)phenyl]morpholine
CID 126816240
3-[(2S)-2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]propanoic acid
CID 124704543

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbenzimidazol-5-yl)-4-[[4-(trifluoromethyl)-2-pyridinyl]methyl]morpholine?
The IUPAC name of 2-(3-methylbenzimidazol-5-yl)-4-[[4-(trifluoromethyl)-2-pyridinyl]methyl]morpholine (CID 178060063) is 2-(3-methylbenzimidazol-5-yl)-4-[[4-(trifluoromethyl)-2-pyridinyl]methyl]morpholine.
What is the SMILES notation for 2-(3-methylbenzimidazol-5-yl)-4-[[4-(trifluoromethyl)-2-pyridinyl]methyl]morpholine?
The canonical SMILES for 2-(3-methylbenzimidazol-5-yl)-4-[[4-(trifluoromethyl)-2-pyridinyl]methyl]morpholine is Cn1cnc2ccc(C3CN(Cc4cc(C(F)(F)F)ccn4)CCO3)cc21.
What is the InChIKey of 2-(3-methylbenzimidazol-5-yl)-4-[[4-(trifluoromethyl)-2-pyridinyl]methyl]morpholine?
The InChIKey is WMZQZJOBNKDDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O/c1-25-12-24-16-3-2-13(8-17(16)25)18-11-26(6-7-27-18)10-15-9-14(4-5-23-15)19(20,21)22/h2-5,8-9,12,18H,6-7,10-11H2,1H3.
What are the key properties of 2-(3-methylbenzimidazol-5-yl)-4-[[4-(trifluoromethyl)-2-pyridinyl]methyl]morpholine?
2-(3-methylbenzimidazol-5-yl)-4-[[4-(trifluoromethyl)-2-pyridinyl]methyl]morpholine has a molecular weight of 376.38 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbenzimidazol-5-yl)-4-[[4-(trifluoromethyl)-2-pyridinyl]methyl]morpholine is sourced from PubChem (CID 178060063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).