2-phenyl-4-[6-(trifluoromethylsulfonyl)-1H-benzimidazol-2-yl]morpholine

C18H16F3N3O3S — CID 71458603

IUPAC2-phenyl-4-[6-(trifluoromethylsulfonyl)-1H-benzimidazol-2-yl]morpholine
SMILESO=S(=O)(c1ccc2nc(N3CCOC(c4ccccc4)C3)[nH]c2c1)C(F)(F)F
InChIInChI=1S/C18H16F3N3O3S/c19-18(20,21)28(25,26)13-6-7-14-15(10-13)23-17(22-14)24-8-9-27-16(11-24)12-4-2-1-3-5-12/h1-7,10,16H,8-9,11H2,(H,22,23)
InChIKeyYRWHVHWRGZRVLY-UHFFFAOYSA-N
MW411.41 g/mol
LogP3.43
Rot. Bonds3

About 2-phenyl-4-[6-(trifluoromethylsulfonyl)-1H-benzimidazol-2-yl]morpholine

2-phenyl-4-[6-(trifluoromethylsulfonyl)-1H-benzimidazol-2-yl]morpholine (PubChem CID 71458603) has the molecular formula C18H16F3N3O3S and a molecular weight of 411.41 g/mol. Its IUPAC name is 2-phenyl-4-[6-(trifluoromethylsulfonyl)-1H-benzimidazol-2-yl]morpholine.

Molecular Properties

Compound Name2-phenyl-4-[6-(trifluoromethylsulfonyl)-1H-benzimidazol-2-yl]morpholine
PubChem CID71458603
Molecular FormulaC18H16F3N3O3S
Molecular Weight411.41 g/mol
Exact Mass411.09
IUPAC Name2-phenyl-4-[6-(trifluoromethylsulfonyl)-1H-benzimidazol-2-yl]morpholine
SMILESO=S(=O)(c1ccc2nc(N3CCOC(c4ccccc4)C3)[nH]c2c1)C(F)(F)F
InChIInChI=1S/C18H16F3N3O3S/c19-18(20,21)28(25,26)13-6-7-14-15(10-13)23-17(22-14)24-8-9-27-16(11-24)12-4-2-1-3-5-12/h1-7,10,16H,8-9,11H2,(H,22,23)
InChIKeyYRWHVHWRGZRVLY-UHFFFAOYSA-N
XLogP3.43
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.41
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[6-(trifluoromethylsulfonyl)-1H-benzimidazol-2-yl]morpholine?
The IUPAC name of 2-phenyl-4-[6-(trifluoromethylsulfonyl)-1H-benzimidazol-2-yl]morpholine (CID 71458603) is 2-phenyl-4-[6-(trifluoromethylsulfonyl)-1H-benzimidazol-2-yl]morpholine.
What is the SMILES notation for 2-phenyl-4-[6-(trifluoromethylsulfonyl)-1H-benzimidazol-2-yl]morpholine?
The canonical SMILES for 2-phenyl-4-[6-(trifluoromethylsulfonyl)-1H-benzimidazol-2-yl]morpholine is O=S(=O)(c1ccc2nc(N3CCOC(c4ccccc4)C3)[nH]c2c1)C(F)(F)F.
What is the InChIKey of 2-phenyl-4-[6-(trifluoromethylsulfonyl)-1H-benzimidazol-2-yl]morpholine?
The InChIKey is YRWHVHWRGZRVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O3S/c19-18(20,21)28(25,26)13-6-7-14-15(10-13)23-17(22-14)24-8-9-27-16(11-24)12-4-2-1-3-5-12/h1-7,10,16H,8-9,11H2,(H,22,23).
What are the key properties of 2-phenyl-4-[6-(trifluoromethylsulfonyl)-1H-benzimidazol-2-yl]morpholine?
2-phenyl-4-[6-(trifluoromethylsulfonyl)-1H-benzimidazol-2-yl]morpholine has a molecular weight of 411.41 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[6-(trifluoromethylsulfonyl)-1H-benzimidazol-2-yl]morpholine is sourced from PubChem (CID 71458603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).