3-[[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1H-benzimidazol-2-one

C19H19F3N4O — CID 165127998

IUPAC3-[[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1CN1CCN(c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C19H19F3N4O/c20-19(21,22)14-5-1-3-7-16(14)25-11-9-24(10-12-25)13-26-17-8-4-2-6-15(17)23-18(26)27/h1-8H,9-13H2,(H,23,27)
InChIKeyFXNYPVMTXGPAGA-UHFFFAOYSA-N
MW376.38 g/mol
LogP3.13
Rot. Bonds3

About 3-[[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1H-benzimidazol-2-one

3-[[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1H-benzimidazol-2-one (PubChem CID 165127998) has the molecular formula C19H19F3N4O and a molecular weight of 376.38 g/mol. Its IUPAC name is 3-[[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1H-benzimidazol-2-one
PubChem CID165127998
Molecular FormulaC19H19F3N4O
Molecular Weight376.38 g/mol
Exact Mass376.15
IUPAC Name3-[[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1CN1CCN(c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C19H19F3N4O/c20-19(21,22)14-5-1-3-7-16(14)25-11-9-24(10-12-25)13-26-17-8-4-2-6-15(17)23-18(26)27/h1-8H,9-13H2,(H,23,27)
InChIKeyFXNYPVMTXGPAGA-UHFFFAOYSA-N
XLogP3.13
TPSA44.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1H-benzimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1H-benzimidazol-2-one (CID 165127998) is 3-[[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1H-benzimidazol-2-one is O=c1[nH]c2ccccc2n1CN1CCN(c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of 3-[[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1H-benzimidazol-2-one?
The InChIKey is FXNYPVMTXGPAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O/c20-19(21,22)14-5-1-3-7-16(14)25-11-9-24(10-12-25)13-26-17-8-4-2-6-15(17)23-18(26)27/h1-8H,9-13H2,(H,23,27).
What are the key properties of 3-[[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1H-benzimidazol-2-one?
3-[[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1H-benzimidazol-2-one has a molecular weight of 376.38 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 165127998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).