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

C19H19F3N4O — CID 178059884

IUPAC2-(3-methylbenzimidazol-5-yl)-4-[[2-(trifluoromethyl)-4-pyridinyl]methyl]morpholine
SMILESCn1cnc2ccc(C3CN(Cc4ccnc(C(F)(F)F)c4)CCO3)cc21
InChIInChI=1S/C19H19F3N4O/c1-25-12-24-15-3-2-14(9-16(15)25)17-11-26(6-7-27-17)10-13-4-5-23-18(8-13)19(20,21)22/h2-5,8-9,12,17H,6-7,10-11H2,1H3
InChIKeySVUWRMRZJQAHQF-UHFFFAOYSA-N
MW376.38 g/mol
LogP3.56
Rot. Bonds3

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

2-(3-methylbenzimidazol-5-yl)-4-[[2-(trifluoromethyl)-4-pyridinyl]methyl]morpholine (PubChem CID 178059884) has the molecular formula C19H19F3N4O and a molecular weight of 376.38 g/mol. Its IUPAC name is 2-(3-methylbenzimidazol-5-yl)-4-[[2-(trifluoromethyl)-4-pyridinyl]methyl]morpholine.

Molecular Properties

Compound Name2-(3-methylbenzimidazol-5-yl)-4-[[2-(trifluoromethyl)-4-pyridinyl]methyl]morpholine
PubChem CID178059884
Molecular FormulaC19H19F3N4O
Molecular Weight376.38 g/mol
Exact Mass376.15
IUPAC Name2-(3-methylbenzimidazol-5-yl)-4-[[2-(trifluoromethyl)-4-pyridinyl]methyl]morpholine
SMILESCn1cnc2ccc(C3CN(Cc4ccnc(C(F)(F)F)c4)CCO3)cc21
InChIInChI=1S/C19H19F3N4O/c1-25-12-24-15-3-2-14(9-16(15)25)17-11-26(6-7-27-17)10-13-4-5-23-18(8-13)19(20,21)22/h2-5,8-9,12,17H,6-7,10-11H2,1H3
InChIKeySVUWRMRZJQAHQF-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-[[2-(trifluoromethyl)-4-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

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbenzimidazol-5-yl)-4-[[2-(trifluoromethyl)-4-pyridinyl]methyl]morpholine?
The IUPAC name of 2-(3-methylbenzimidazol-5-yl)-4-[[2-(trifluoromethyl)-4-pyridinyl]methyl]morpholine (CID 178059884) is 2-(3-methylbenzimidazol-5-yl)-4-[[2-(trifluoromethyl)-4-pyridinyl]methyl]morpholine.
What is the SMILES notation for 2-(3-methylbenzimidazol-5-yl)-4-[[2-(trifluoromethyl)-4-pyridinyl]methyl]morpholine?
The canonical SMILES for 2-(3-methylbenzimidazol-5-yl)-4-[[2-(trifluoromethyl)-4-pyridinyl]methyl]morpholine is Cn1cnc2ccc(C3CN(Cc4ccnc(C(F)(F)F)c4)CCO3)cc21.
What is the InChIKey of 2-(3-methylbenzimidazol-5-yl)-4-[[2-(trifluoromethyl)-4-pyridinyl]methyl]morpholine?
The InChIKey is SVUWRMRZJQAHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O/c1-25-12-24-15-3-2-14(9-16(15)25)17-11-26(6-7-27-17)10-13-4-5-23-18(8-13)19(20,21)22/h2-5,8-9,12,17H,6-7,10-11H2,1H3.
What are the key properties of 2-(3-methylbenzimidazol-5-yl)-4-[[2-(trifluoromethyl)-4-pyridinyl]methyl]morpholine?
2-(3-methylbenzimidazol-5-yl)-4-[[2-(trifluoromethyl)-4-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-[[2-(trifluoromethyl)-4-pyridinyl]methyl]morpholine is sourced from PubChem (CID 178059884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).