(4-pyrimidin-2-ylpiperazin-1-yl)-[1-[3-(trifluoromethyl)phenyl]imidazol-4-yl]methanone

C19H17F3N6O — CID 100816160

IUPAC(4-pyrimidin-2-ylpiperazin-1-yl)-[1-[3-(trifluoromethyl)phenyl]imidazol-4-yl]methanone
SMILESO=C(c1cn(-c2cccc(C(F)(F)F)c2)cn1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C19H17F3N6O/c20-19(21,22)14-3-1-4-15(11-14)28-12-16(25-13-28)17(29)26-7-9-27(10-8-26)18-23-5-2-6-24-18/h1-6,11-13H,7-10H2
InChIKeyZSCNMBSXWRDUKZ-UHFFFAOYSA-N
MW402.38 g/mol
LogP2.64
Rot. Bonds3

About (4-pyrimidin-2-ylpiperazin-1-yl)-[1-[3-(trifluoromethyl)phenyl]imidazol-4-yl]methanone

(4-pyrimidin-2-ylpiperazin-1-yl)-[1-[3-(trifluoromethyl)phenyl]imidazol-4-yl]methanone (PubChem CID 100816160) has the molecular formula C19H17F3N6O and a molecular weight of 402.38 g/mol. Its IUPAC name is (4-pyrimidin-2-ylpiperazin-1-yl)-[1-[3-(trifluoromethyl)phenyl]imidazol-4-yl]methanone.

Molecular Properties

Compound Name(4-pyrimidin-2-ylpiperazin-1-yl)-[1-[3-(trifluoromethyl)phenyl]imidazol-4-yl]methanone
PubChem CID100816160
Molecular FormulaC19H17F3N6O
Molecular Weight402.38 g/mol
Exact Mass402.14
IUPAC Name(4-pyrimidin-2-ylpiperazin-1-yl)-[1-[3-(trifluoromethyl)phenyl]imidazol-4-yl]methanone
SMILESO=C(c1cn(-c2cccc(C(F)(F)F)c2)cn1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C19H17F3N6O/c20-19(21,22)14-3-1-4-15(11-14)28-12-16(25-13-28)17(29)26-7-9-27(10-8-26)18-23-5-2-6-24-18/h1-6,11-13H,7-10H2
InChIKeyZSCNMBSXWRDUKZ-UHFFFAOYSA-N
XLogP2.64
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.38
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-pyrimidin-2-ylpiperazin-1-yl)-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone
CID 15950720
imidazo[1,2-b]pyridazin-6-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 146075154
(5-methylpyrazin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 42965297
pyridin-4-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 2166152
N-propan-2-yl-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 100816389
N-ethyl-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 100819634
[1,2,4]triazolo[4,3-b]pyridazin-6-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 146079038
pyrrolidin-1-yl-[1-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]imidazol-4-yl]methanone
CID 72703652
(4-pyrimidin-2-ylpiperazin-1-yl)-[1-(6-thiomorpholin-4-ylpyrimidin-4-yl)imidazol-4-yl]methanone
CID 53172133
N-benzyl-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 100816156
3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 2546755
N-(benzenesulfonyl)-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 139453020

Frequently Asked Questions

What is the IUPAC name of (4-pyrimidin-2-ylpiperazin-1-yl)-[1-[3-(trifluoromethyl)phenyl]imidazol-4-yl]methanone?
The IUPAC name of (4-pyrimidin-2-ylpiperazin-1-yl)-[1-[3-(trifluoromethyl)phenyl]imidazol-4-yl]methanone (CID 100816160) is (4-pyrimidin-2-ylpiperazin-1-yl)-[1-[3-(trifluoromethyl)phenyl]imidazol-4-yl]methanone.
What is the SMILES notation for (4-pyrimidin-2-ylpiperazin-1-yl)-[1-[3-(trifluoromethyl)phenyl]imidazol-4-yl]methanone?
The canonical SMILES for (4-pyrimidin-2-ylpiperazin-1-yl)-[1-[3-(trifluoromethyl)phenyl]imidazol-4-yl]methanone is O=C(c1cn(-c2cccc(C(F)(F)F)c2)cn1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of (4-pyrimidin-2-ylpiperazin-1-yl)-[1-[3-(trifluoromethyl)phenyl]imidazol-4-yl]methanone?
The InChIKey is ZSCNMBSXWRDUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N6O/c20-19(21,22)14-3-1-4-15(11-14)28-12-16(25-13-28)17(29)26-7-9-27(10-8-26)18-23-5-2-6-24-18/h1-6,11-13H,7-10H2.
What are the key properties of (4-pyrimidin-2-ylpiperazin-1-yl)-[1-[3-(trifluoromethyl)phenyl]imidazol-4-yl]methanone?
(4-pyrimidin-2-ylpiperazin-1-yl)-[1-[3-(trifluoromethyl)phenyl]imidazol-4-yl]methanone has a molecular weight of 402.38 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyrimidin-2-ylpiperazin-1-yl)-[1-[3-(trifluoromethyl)phenyl]imidazol-4-yl]methanone is sourced from PubChem (CID 100816160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).