1-[(2-phenyl-1H-imidazol-5-yl)methyl]-4-[4-(trifluoromethyl)-2-pyridinyl]piperazine

C20H20F3N5 — CID 2812859

IUPAC1-[(2-phenyl-1H-imidazol-5-yl)methyl]-4-[4-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESFC(F)(F)c1ccnc(N2CCN(Cc3cnc(-c4ccccc4)[nH]3)CC2)c1
InChIInChI=1S/C20H20F3N5/c21-20(22,23)16-6-7-24-18(12-16)28-10-8-27(9-11-28)14-17-13-25-19(26-17)15-4-2-1-3-5-15/h1-7,12-13H,8-11,14H2,(H,25,26)
InChIKeyHPXUSKRZKGYULE-UHFFFAOYSA-N
MW387.41 g/mol
LogP3.81
Rot. Bonds4

About 1-[(2-phenyl-1H-imidazol-5-yl)methyl]-4-[4-(trifluoromethyl)-2-pyridinyl]piperazine

1-[(2-phenyl-1H-imidazol-5-yl)methyl]-4-[4-(trifluoromethyl)-2-pyridinyl]piperazine (PubChem CID 2812859) has the molecular formula C20H20F3N5 and a molecular weight of 387.41 g/mol. Its IUPAC name is 1-[(2-phenyl-1H-imidazol-5-yl)methyl]-4-[4-(trifluoromethyl)-2-pyridinyl]piperazine.

Molecular Properties

Compound Name1-[(2-phenyl-1H-imidazol-5-yl)methyl]-4-[4-(trifluoromethyl)-2-pyridinyl]piperazine
PubChem CID2812859
Molecular FormulaC20H20F3N5
Molecular Weight387.41 g/mol
Exact Mass387.17
IUPAC Name1-[(2-phenyl-1H-imidazol-5-yl)methyl]-4-[4-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESFC(F)(F)c1ccnc(N2CCN(Cc3cnc(-c4ccccc4)[nH]3)CC2)c1
InChIInChI=1S/C20H20F3N5/c21-20(22,23)16-6-7-24-18(12-16)28-10-8-27(9-11-28)14-17-13-25-19(26-17)15-4-2-1-3-5-15/h1-7,12-13H,8-11,14H2,(H,25,26)
InChIKeyHPXUSKRZKGYULE-UHFFFAOYSA-N
XLogP3.81
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-phenyl-1H-imidazol-5-yl)methyl]-4-[4-(trifluoromethyl)-2-pyridinyl]piperazine?
The IUPAC name of 1-[(2-phenyl-1H-imidazol-5-yl)methyl]-4-[4-(trifluoromethyl)-2-pyridinyl]piperazine (CID 2812859) is 1-[(2-phenyl-1H-imidazol-5-yl)methyl]-4-[4-(trifluoromethyl)-2-pyridinyl]piperazine.
What is the SMILES notation for 1-[(2-phenyl-1H-imidazol-5-yl)methyl]-4-[4-(trifluoromethyl)-2-pyridinyl]piperazine?
The canonical SMILES for 1-[(2-phenyl-1H-imidazol-5-yl)methyl]-4-[4-(trifluoromethyl)-2-pyridinyl]piperazine is FC(F)(F)c1ccnc(N2CCN(Cc3cnc(-c4ccccc4)[nH]3)CC2)c1.
What is the InChIKey of 1-[(2-phenyl-1H-imidazol-5-yl)methyl]-4-[4-(trifluoromethyl)-2-pyridinyl]piperazine?
The InChIKey is HPXUSKRZKGYULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5/c21-20(22,23)16-6-7-24-18(12-16)28-10-8-27(9-11-28)14-17-13-25-19(26-17)15-4-2-1-3-5-15/h1-7,12-13H,8-11,14H2,(H,25,26).
What are the key properties of 1-[(2-phenyl-1H-imidazol-5-yl)methyl]-4-[4-(trifluoromethyl)-2-pyridinyl]piperazine?
1-[(2-phenyl-1H-imidazol-5-yl)methyl]-4-[4-(trifluoromethyl)-2-pyridinyl]piperazine has a molecular weight of 387.41 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-phenyl-1H-imidazol-5-yl)methyl]-4-[4-(trifluoromethyl)-2-pyridinyl]piperazine is sourced from PubChem (CID 2812859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).