2-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one

C19H24F3N3O — CID 134795739

IUPAC2-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one
SMILESO=C1N2CCCC2CN1C1CCN(Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C19H24F3N3O/c20-19(21,22)15-5-3-14(4-6-15)12-23-10-7-16(8-11-23)25-13-17-2-1-9-24(17)18(25)26/h3-6,16-17H,1-2,7-13H2
InChIKeyOTBYVVQDSSFLHF-UHFFFAOYSA-N
MW367.42 g/mol
LogP3.57
Rot. Bonds3

About 2-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one

2-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one (PubChem CID 134795739) has the molecular formula C19H24F3N3O and a molecular weight of 367.42 g/mol. Its IUPAC name is 2-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one.

Molecular Properties

Compound Name2-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one
PubChem CID134795739
Molecular FormulaC19H24F3N3O
Molecular Weight367.42 g/mol
Exact Mass367.19
IUPAC Name2-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one
SMILESO=C1N2CCCC2CN1C1CCN(Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C19H24F3N3O/c20-19(21,22)15-5-3-14(4-6-15)12-23-10-7-16(8-11-23)25-13-17-2-1-9-24(17)18(25)26/h3-6,16-17H,1-2,7-13H2
InChIKeyOTBYVVQDSSFLHF-UHFFFAOYSA-N
XLogP3.57
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one?
The IUPAC name of 2-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one (CID 134795739) is 2-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one.
What is the SMILES notation for 2-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one?
The canonical SMILES for 2-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one is O=C1N2CCCC2CN1C1CCN(Cc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 2-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one?
The InChIKey is OTBYVVQDSSFLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N3O/c20-19(21,22)15-5-3-14(4-6-15)12-23-10-7-16(8-11-23)25-13-17-2-1-9-24(17)18(25)26/h3-6,16-17H,1-2,7-13H2.
What are the key properties of 2-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one?
2-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one has a molecular weight of 367.42 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one is sourced from PubChem (CID 134795739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).