5-[3,5-bis(trifluoromethyl)phenyl]-3-piperidin-4-yl-1H-imidazol-2-one

C16H15F6N3O — CID 18321433

IUPAC5-[3,5-bis(trifluoromethyl)phenyl]-3-piperidin-4-yl-1H-imidazol-2-one
SMILESO=c1[nH]c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cn1C1CCNCC1
InChIInChI=1S/C16H15F6N3O/c17-15(18,19)10-5-9(6-11(7-10)16(20,21)22)13-8-25(14(26)24-13)12-1-3-23-4-2-12/h5-8,12,23H,1-4H2,(H,24,26)
InChIKeyGXIMVXGABSVIQV-UHFFFAOYSA-N
MW379.30 g/mol
LogP3.81
Rot. Bonds2

About 5-[3,5-bis(trifluoromethyl)phenyl]-3-piperidin-4-yl-1H-imidazol-2-one

5-[3,5-bis(trifluoromethyl)phenyl]-3-piperidin-4-yl-1H-imidazol-2-one (PubChem CID 18321433) has the molecular formula C16H15F6N3O and a molecular weight of 379.30 g/mol. Its IUPAC name is 5-[3,5-bis(trifluoromethyl)phenyl]-3-piperidin-4-yl-1H-imidazol-2-one.

Molecular Properties

Compound Name5-[3,5-bis(trifluoromethyl)phenyl]-3-piperidin-4-yl-1H-imidazol-2-one
PubChem CID18321433
Molecular FormulaC16H15F6N3O
Molecular Weight379.30 g/mol
Exact Mass379.11
IUPAC Name5-[3,5-bis(trifluoromethyl)phenyl]-3-piperidin-4-yl-1H-imidazol-2-one
SMILESO=c1[nH]c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cn1C1CCNCC1
InChIInChI=1S/C16H15F6N3O/c17-15(18,19)10-5-9(6-11(7-10)16(20,21)22)13-8-25(14(26)24-13)12-1-3-23-4-2-12/h5-8,12,23H,1-4H2,(H,24,26)
InChIKeyGXIMVXGABSVIQV-UHFFFAOYSA-N
XLogP3.81
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.30
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[3,5-bis(trifluoromethyl)phenyl]-3-piperidin-4-yl-1H-imidazol-2-one?
The IUPAC name of 5-[3,5-bis(trifluoromethyl)phenyl]-3-piperidin-4-yl-1H-imidazol-2-one (CID 18321433) is 5-[3,5-bis(trifluoromethyl)phenyl]-3-piperidin-4-yl-1H-imidazol-2-one.
What is the SMILES notation for 5-[3,5-bis(trifluoromethyl)phenyl]-3-piperidin-4-yl-1H-imidazol-2-one?
The canonical SMILES for 5-[3,5-bis(trifluoromethyl)phenyl]-3-piperidin-4-yl-1H-imidazol-2-one is O=c1[nH]c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cn1C1CCNCC1.
What is the InChIKey of 5-[3,5-bis(trifluoromethyl)phenyl]-3-piperidin-4-yl-1H-imidazol-2-one?
The InChIKey is GXIMVXGABSVIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F6N3O/c17-15(18,19)10-5-9(6-11(7-10)16(20,21)22)13-8-25(14(26)24-13)12-1-3-23-4-2-12/h5-8,12,23H,1-4H2,(H,24,26).
What are the key properties of 5-[3,5-bis(trifluoromethyl)phenyl]-3-piperidin-4-yl-1H-imidazol-2-one?
5-[3,5-bis(trifluoromethyl)phenyl]-3-piperidin-4-yl-1H-imidazol-2-one has a molecular weight of 379.30 g/mol, XLogP of 3.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,5-bis(trifluoromethyl)phenyl]-3-piperidin-4-yl-1H-imidazol-2-one is sourced from PubChem (CID 18321433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).