3-morpholin-4-yl-N-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]propan-1-amine

C16H21F3N4O — CID 134084462

IUPAC3-morpholin-4-yl-N-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]propan-1-amine
SMILESFC(F)(F)c1ccc2nc(CNCCCN3CCOCC3)[nH]c2c1
InChIInChI=1S/C16H21F3N4O/c17-16(18,19)12-2-3-13-14(10-12)22-15(21-13)11-20-4-1-5-23-6-8-24-9-7-23/h2-3,10,20H,1,4-9,11H2,(H,21,22)
InChIKeyYNNCUSJZZJPORO-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.39
Rot. Bonds6

About 3-morpholin-4-yl-N-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]propan-1-amine

3-morpholin-4-yl-N-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]propan-1-amine (PubChem CID 134084462) has the molecular formula C16H21F3N4O and a molecular weight of 342.37 g/mol. Its IUPAC name is 3-morpholin-4-yl-N-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name3-morpholin-4-yl-N-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]propan-1-amine
PubChem CID134084462
Molecular FormulaC16H21F3N4O
Molecular Weight342.37 g/mol
Exact Mass342.17
IUPAC Name3-morpholin-4-yl-N-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]propan-1-amine
SMILESFC(F)(F)c1ccc2nc(CNCCCN3CCOCC3)[nH]c2c1
InChIInChI=1S/C16H21F3N4O/c17-16(18,19)12-2-3-13-14(10-12)22-15(21-13)11-20-4-1-5-23-6-8-24-9-7-23/h2-3,10,20H,1,4-9,11H2,(H,21,22)
InChIKeyYNNCUSJZZJPORO-UHFFFAOYSA-N
XLogP2.39
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-N-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]propan-1-amine?
The IUPAC name of 3-morpholin-4-yl-N-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]propan-1-amine (CID 134084462) is 3-morpholin-4-yl-N-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]propan-1-amine.
What is the SMILES notation for 3-morpholin-4-yl-N-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]propan-1-amine?
The canonical SMILES for 3-morpholin-4-yl-N-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]propan-1-amine is FC(F)(F)c1ccc2nc(CNCCCN3CCOCC3)[nH]c2c1.
What is the InChIKey of 3-morpholin-4-yl-N-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]propan-1-amine?
The InChIKey is YNNCUSJZZJPORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N4O/c17-16(18,19)12-2-3-13-14(10-12)22-15(21-13)11-20-4-1-5-23-6-8-24-9-7-23/h2-3,10,20H,1,4-9,11H2,(H,21,22).
What are the key properties of 3-morpholin-4-yl-N-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]propan-1-amine?
3-morpholin-4-yl-N-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]propan-1-amine has a molecular weight of 342.37 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-N-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 134084462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).