5-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one

C24H25F3N4O3 — CID 67940374

IUPAC5-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
SMILESO=C1OC(CCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)CN1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H25F3N4O3/c25-24(26,27)16-4-3-5-18(14-16)30-15-19(34-23(30)33)10-13-29-11-8-17(9-12-29)31-21-7-2-1-6-20(21)28-22(31)32/h1-7,14,17,19H,8-13,15H2,(H,28,32)
InChIKeyPUMGKHLPNOOMEO-UHFFFAOYSA-N
MW474.48 g/mol
LogP4.40
Rot. Bonds5

About 5-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one

5-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one (PubChem CID 67940374) has the molecular formula C24H25F3N4O3 and a molecular weight of 474.48 g/mol. Its IUPAC name is 5-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
PubChem CID67940374
Molecular FormulaC24H25F3N4O3
Molecular Weight474.48 g/mol
Exact Mass474.19
IUPAC Name5-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
SMILESO=C1OC(CCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)CN1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H25F3N4O3/c25-24(26,27)16-4-3-5-18(14-16)30-15-19(34-23(30)33)10-13-29-11-8-17(9-12-29)31-21-7-2-1-6-20(21)28-22(31)32/h1-7,14,17,19H,8-13,15H2,(H,28,32)
InChIKeyPUMGKHLPNOOMEO-UHFFFAOYSA-N
XLogP4.40
TPSA70.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.48
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one (CID 67940374) is 5-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one is O=C1OC(CCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)CN1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The InChIKey is PUMGKHLPNOOMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O3/c25-24(26,27)16-4-3-5-18(14-16)30-15-19(34-23(30)33)10-13-29-11-8-17(9-12-29)31-21-7-2-1-6-20(21)28-22(31)32/h1-7,14,17,19H,8-13,15H2,(H,28,32).
What are the key properties of 5-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
5-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 474.48 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 67940374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).