2,6-dimethyl-4-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]morpholine

C15H18F3N3O — CID 134084566

IUPAC2,6-dimethyl-4-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]morpholine
SMILESCC1CN(Cc2nc3ccc(C(F)(F)F)cc3[nH]2)CC(C)O1
InChIInChI=1S/C15H18F3N3O/c1-9-6-21(7-10(2)22-9)8-14-19-12-4-3-11(15(16,17)18)5-13(12)20-14/h3-5,9-10H,6-8H2,1-2H3,(H,19,20)
InChIKeyUWDDTSDKZQBVOT-UHFFFAOYSA-N
MW313.32 g/mol
LogP3.19
Rot. Bonds2

About 2,6-dimethyl-4-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]morpholine

2,6-dimethyl-4-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]morpholine (PubChem CID 134084566) has the molecular formula C15H18F3N3O and a molecular weight of 313.32 g/mol. Its IUPAC name is 2,6-dimethyl-4-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]morpholine.

Molecular Properties

Compound Name2,6-dimethyl-4-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]morpholine
PubChem CID134084566
Molecular FormulaC15H18F3N3O
Molecular Weight313.32 g/mol
Exact Mass313.14
IUPAC Name2,6-dimethyl-4-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]morpholine
SMILESCC1CN(Cc2nc3ccc(C(F)(F)F)cc3[nH]2)CC(C)O1
InChIInChI=1S/C15H18F3N3O/c1-9-6-21(7-10(2)22-9)8-14-19-12-4-3-11(15(16,17)18)5-13(12)20-14/h3-5,9-10H,6-8H2,1-2H3,(H,19,20)
InChIKeyUWDDTSDKZQBVOT-UHFFFAOYSA-N
XLogP3.19
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]morpholine?
The IUPAC name of 2,6-dimethyl-4-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]morpholine (CID 134084566) is 2,6-dimethyl-4-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]morpholine.
What is the SMILES notation for 2,6-dimethyl-4-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]morpholine?
The canonical SMILES for 2,6-dimethyl-4-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]morpholine is CC1CN(Cc2nc3ccc(C(F)(F)F)cc3[nH]2)CC(C)O1.
What is the InChIKey of 2,6-dimethyl-4-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]morpholine?
The InChIKey is UWDDTSDKZQBVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O/c1-9-6-21(7-10(2)22-9)8-14-19-12-4-3-11(15(16,17)18)5-13(12)20-14/h3-5,9-10H,6-8H2,1-2H3,(H,19,20).
What are the key properties of 2,6-dimethyl-4-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]morpholine?
2,6-dimethyl-4-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]morpholine has a molecular weight of 313.32 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]morpholine is sourced from PubChem (CID 134084566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).