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

C21H19F3N4O — CID 51361140

IUPAC(4-phenylpiperazin-1-yl)-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]methanone
SMILESO=C(c1[nH]c(C(F)(F)F)nc1-c1ccccc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H19F3N4O/c22-21(23,24)20-25-17(15-7-3-1-4-8-15)18(26-20)19(29)28-13-11-27(12-14-28)16-9-5-2-6-10-16/h1-10H,11-14H2,(H,25,26)
InChIKeyPVOLDIUJWJNILF-UHFFFAOYSA-N
MW400.40 g/mol
LogP4.06
Rot. Bonds3

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

(4-phenylpiperazin-1-yl)-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]methanone (PubChem CID 51361140) has the molecular formula C21H19F3N4O and a molecular weight of 400.40 g/mol. Its IUPAC name is (4-phenylpiperazin-1-yl)-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]methanone.

Molecular Properties

Compound Name(4-phenylpiperazin-1-yl)-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]methanone
PubChem CID51361140
Molecular FormulaC21H19F3N4O
Molecular Weight400.40 g/mol
Exact Mass400.15
IUPAC Name(4-phenylpiperazin-1-yl)-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]methanone
SMILESO=C(c1[nH]c(C(F)(F)F)nc1-c1ccccc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H19F3N4O/c22-21(23,24)20-25-17(15-7-3-1-4-8-15)18(26-20)19(29)28-13-11-27(12-14-28)16-9-5-2-6-10-16/h1-10H,11-14H2,(H,25,26)
InChIKeyPVOLDIUJWJNILF-UHFFFAOYSA-N
XLogP4.06
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.40
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-phenylpiperazin-1-yl)-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]methanone?
The IUPAC name of (4-phenylpiperazin-1-yl)-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]methanone (CID 51361140) is (4-phenylpiperazin-1-yl)-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]methanone.
What is the SMILES notation for (4-phenylpiperazin-1-yl)-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]methanone?
The canonical SMILES for (4-phenylpiperazin-1-yl)-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]methanone is O=C(c1[nH]c(C(F)(F)F)nc1-c1ccccc1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of (4-phenylpiperazin-1-yl)-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]methanone?
The InChIKey is PVOLDIUJWJNILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N4O/c22-21(23,24)20-25-17(15-7-3-1-4-8-15)18(26-20)19(29)28-13-11-27(12-14-28)16-9-5-2-6-10-16/h1-10H,11-14H2,(H,25,26).
What are the key properties of (4-phenylpiperazin-1-yl)-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]methanone?
(4-phenylpiperazin-1-yl)-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]methanone has a molecular weight of 400.40 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylpiperazin-1-yl)-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]methanone is sourced from PubChem (CID 51361140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).