(2R)-2-methyl-1-[4-phenyl-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine

C27H23F6N5 — CID 11591848

IUPAC(2R)-2-methyl-1-[4-phenyl-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESC[C@@H]1CN(c2ncccc2C(F)(F)F)CCN1c1nc(-c2ccccc2)c(-c2ccc(C(F)(F)F)cc2)[nH]1
InChIInChI=1S/C27H23F6N5/c1-17-16-37(24-21(27(31,32)33)8-5-13-34-24)14-15-38(17)25-35-22(18-6-3-2-4-7-18)23(36-25)19-9-11-20(12-10-19)26(28,29)30/h2-13,17H,14-16H2,1H3,(H,35,36)/t17-/m1/s1
InChIKeyJUZWMCRZHNBIHC-QGZVFWFLSA-N
MW531.50 g/mol
LogP6.89
Rot. Bonds4

About (2R)-2-methyl-1-[4-phenyl-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine

(2R)-2-methyl-1-[4-phenyl-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine (PubChem CID 11591848) has the molecular formula C27H23F6N5 and a molecular weight of 531.50 g/mol. Its IUPAC name is (2R)-2-methyl-1-[4-phenyl-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine.

Molecular Properties

Compound Name(2R)-2-methyl-1-[4-phenyl-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine
PubChem CID11591848
Molecular FormulaC27H23F6N5
Molecular Weight531.50 g/mol
Exact Mass531.19
IUPAC Name(2R)-2-methyl-1-[4-phenyl-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESC[C@@H]1CN(c2ncccc2C(F)(F)F)CCN1c1nc(-c2ccccc2)c(-c2ccc(C(F)(F)F)cc2)[nH]1
InChIInChI=1S/C27H23F6N5/c1-17-16-37(24-21(27(31,32)33)8-5-13-34-24)14-15-38(17)25-35-22(18-6-3-2-4-7-18)23(36-25)19-9-11-20(12-10-19)26(28,29)30/h2-13,17H,14-16H2,1H3,(H,35,36)/t17-/m1/s1
InChIKeyJUZWMCRZHNBIHC-QGZVFWFLSA-N
XLogP6.89
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.50
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-1-[4-phenyl-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine?
The IUPAC name of (2R)-2-methyl-1-[4-phenyl-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine (CID 11591848) is (2R)-2-methyl-1-[4-phenyl-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine.
What is the SMILES notation for (2R)-2-methyl-1-[4-phenyl-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine?
The canonical SMILES for (2R)-2-methyl-1-[4-phenyl-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine is C[C@@H]1CN(c2ncccc2C(F)(F)F)CCN1c1nc(-c2ccccc2)c(-c2ccc(C(F)(F)F)cc2)[nH]1.
What is the InChIKey of (2R)-2-methyl-1-[4-phenyl-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine?
The InChIKey is JUZWMCRZHNBIHC-QGZVFWFLSA-N. The full InChI is InChI=1S/C27H23F6N5/c1-17-16-37(24-21(27(31,32)33)8-5-13-34-24)14-15-38(17)25-35-22(18-6-3-2-4-7-18)23(36-25)19-9-11-20(12-10-19)26(28,29)30/h2-13,17H,14-16H2,1H3,(H,35,36)/t17-/m1/s1.
What are the key properties of (2R)-2-methyl-1-[4-phenyl-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine?
(2R)-2-methyl-1-[4-phenyl-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine has a molecular weight of 531.50 g/mol, XLogP of 6.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-1-[4-phenyl-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine is sourced from PubChem (CID 11591848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).