4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1-[4-(2-piperidin-4-yl-1H-imidazol-5-yl)-2-(trifluoromethyl)phenyl]piperidine

C30H29F7N6 — CID 134836577

IUPAC4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1-[4-(2-piperidin-4-yl-1H-imidazol-5-yl)-2-(trifluoromethyl)phenyl]piperidine
SMILESFc1ccc(-c2cnc(C3CCN(c4ccc(-c5cnc(C6CCNCC6)[nH]5)cc4C(F)(F)F)CC3)[nH]2)cc1C(F)(F)F
InChIInChI=1S/C30H29F7N6/c31-23-3-1-19(13-21(23)29(32,33)34)24-15-40-28(42-24)18-7-11-43(12-8-18)26-4-2-20(14-22(26)30(35,36)37)25-16-39-27(41-25)17-5-9-38-10-6-17/h1-4,13-18,38H,5-12H2,(H,39,41)(H,40,42)
InChIKeyIEXCCDLTNNUVDE-UHFFFAOYSA-N
MW606.59 g/mol
LogP7.49
Rot. Bonds5

About 4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1-[4-(2-piperidin-4-yl-1H-imidazol-5-yl)-2-(trifluoromethyl)phenyl]piperidine

4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1-[4-(2-piperidin-4-yl-1H-imidazol-5-yl)-2-(trifluoromethyl)phenyl]piperidine (PubChem CID 134836577) has the molecular formula C30H29F7N6 and a molecular weight of 606.59 g/mol. Its IUPAC name is 4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1-[4-(2-piperidin-4-yl-1H-imidazol-5-yl)-2-(trifluoromethyl)phenyl]piperidine.

Molecular Properties

Compound Name4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1-[4-(2-piperidin-4-yl-1H-imidazol-5-yl)-2-(trifluoromethyl)phenyl]piperidine
PubChem CID134836577
Molecular FormulaC30H29F7N6
Molecular Weight606.59 g/mol
Exact Mass606.23
IUPAC Name4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1-[4-(2-piperidin-4-yl-1H-imidazol-5-yl)-2-(trifluoromethyl)phenyl]piperidine
SMILESFc1ccc(-c2cnc(C3CCN(c4ccc(-c5cnc(C6CCNCC6)[nH]5)cc4C(F)(F)F)CC3)[nH]2)cc1C(F)(F)F
InChIInChI=1S/C30H29F7N6/c31-23-3-1-19(13-21(23)29(32,33)34)24-15-40-28(42-24)18-7-11-43(12-8-18)26-4-2-20(14-22(26)30(35,36)37)25-16-39-27(41-25)17-5-9-38-10-6-17/h1-4,13-18,38H,5-12H2,(H,39,41)(H,40,42)
InChIKeyIEXCCDLTNNUVDE-UHFFFAOYSA-N
XLogP7.49
TPSA72.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.59
LogP ≤ 57.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1-[4-(2-piperidin-4-yl-1H-imidazol-5-yl)-2-(trifluoromethyl)phenyl]piperidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1-[4-(2-piperidin-4-yl-1H-imidazol-5-yl)-2-(trifluoromethyl)phenyl]piperidine?
The IUPAC name of 4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1-[4-(2-piperidin-4-yl-1H-imidazol-5-yl)-2-(trifluoromethyl)phenyl]piperidine (CID 134836577) is 4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1-[4-(2-piperidin-4-yl-1H-imidazol-5-yl)-2-(trifluoromethyl)phenyl]piperidine.
What is the SMILES notation for 4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1-[4-(2-piperidin-4-yl-1H-imidazol-5-yl)-2-(trifluoromethyl)phenyl]piperidine?
The canonical SMILES for 4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1-[4-(2-piperidin-4-yl-1H-imidazol-5-yl)-2-(trifluoromethyl)phenyl]piperidine is Fc1ccc(-c2cnc(C3CCN(c4ccc(-c5cnc(C6CCNCC6)[nH]5)cc4C(F)(F)F)CC3)[nH]2)cc1C(F)(F)F.
What is the InChIKey of 4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1-[4-(2-piperidin-4-yl-1H-imidazol-5-yl)-2-(trifluoromethyl)phenyl]piperidine?
The InChIKey is IEXCCDLTNNUVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29F7N6/c31-23-3-1-19(13-21(23)29(32,33)34)24-15-40-28(42-24)18-7-11-43(12-8-18)26-4-2-20(14-22(26)30(35,36)37)25-16-39-27(41-25)17-5-9-38-10-6-17/h1-4,13-18,38H,5-12H2,(H,39,41)(H,40,42).
What are the key properties of 4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1-[4-(2-piperidin-4-yl-1H-imidazol-5-yl)-2-(trifluoromethyl)phenyl]piperidine?
4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1-[4-(2-piperidin-4-yl-1H-imidazol-5-yl)-2-(trifluoromethyl)phenyl]piperidine has a molecular weight of 606.59 g/mol, XLogP of 7.49, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1-[4-(2-piperidin-4-yl-1H-imidazol-5-yl)-2-(trifluoromethyl)phenyl]piperidine is sourced from PubChem (CID 134836577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).