[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

C20H18F3N5O — CID 51361128

IUPAC[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1[nH]c(C(F)(F)F)nc1-c1ccccc1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H18F3N5O/c21-20(22,23)19-25-16(14-6-2-1-3-7-14)17(26-19)18(29)28-12-10-27(11-13-28)15-8-4-5-9-24-15/h1-9H,10-13H2,(H,25,26)
InChIKeyUQJTWOFRTKPLQZ-UHFFFAOYSA-N
MW401.39 g/mol
LogP3.45
Rot. Bonds3

About [4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 51361128) has the molecular formula C20H18F3N5O and a molecular weight of 401.39 g/mol. Its IUPAC name is [4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID51361128
Molecular FormulaC20H18F3N5O
Molecular Weight401.39 g/mol
Exact Mass401.15
IUPAC Name[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1[nH]c(C(F)(F)F)nc1-c1ccccc1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H18F3N5O/c21-20(22,23)19-25-16(14-6-2-1-3-7-14)17(26-19)18(29)28-12-10-27(11-13-28)15-8-4-5-9-24-15/h1-9H,10-13H2,(H,25,26)
InChIKeyUQJTWOFRTKPLQZ-UHFFFAOYSA-N
XLogP3.45
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.39
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 51361128) is [4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is O=C(c1[nH]c(C(F)(F)F)nc1-c1ccccc1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of [4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is UQJTWOFRTKPLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N5O/c21-20(22,23)19-25-16(14-6-2-1-3-7-14)17(26-19)18(29)28-12-10-27(11-13-28)15-8-4-5-9-24-15/h1-9H,10-13H2,(H,25,26).
What are the key properties of [4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 401.39 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 51361128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).