[2-benzyl-4-[4-[1-[(2-methyl-1,3-oxazol-5-yl)methyl]benzimidazol-2-yl]piperazin-1-yl]piperidin-1-yl]-[3,5-bis(trifluoromethyl)phenyl]methanone

C37H36F6N6O2 — CID 11434025

IUPAC[2-benzyl-4-[4-[1-[(2-methyl-1,3-oxazol-5-yl)methyl]benzimidazol-2-yl]piperazin-1-yl]piperidin-1-yl]-[3,5-bis(trifluoromethyl)phenyl]methanone
SMILESCc1ncc(Cn2c(N3CCN(C4CCN(C(=O)c5cc(C(F)(F)F)cc(C(F)(F)F)c5)C(Cc5ccccc5)C4)CC3)nc3ccccc32)o1
InChIInChI=1S/C37H36F6N6O2/c1-24-44-22-31(51-24)23-49-33-10-6-5-9-32(33)45-35(49)47-15-13-46(14-16-47)29-11-12-48(30(21-29)17-25-7-3-2-4-8-25)34(50)26-18-27(36(38,39)40)20-28(19-26)37(41,42)43/h2-10,18-20,22,29-30H,11-17,21,23H2,1H3
InChIKeySWUUJVRQDQMXGB-UHFFFAOYSA-N
MW710.72 g/mol
LogP7.46
Rot. Bonds7

About [2-benzyl-4-[4-[1-[(2-methyl-1,3-oxazol-5-yl)methyl]benzimidazol-2-yl]piperazin-1-yl]piperidin-1-yl]-[3,5-bis(trifluoromethyl)phenyl]methanone

[2-benzyl-4-[4-[1-[(2-methyl-1,3-oxazol-5-yl)methyl]benzimidazol-2-yl]piperazin-1-yl]piperidin-1-yl]-[3,5-bis(trifluoromethyl)phenyl]methanone (PubChem CID 11434025) has the molecular formula C37H36F6N6O2 and a molecular weight of 710.72 g/mol. Its IUPAC name is [2-benzyl-4-[4-[1-[(2-methyl-1,3-oxazol-5-yl)methyl]benzimidazol-2-yl]piperazin-1-yl]piperidin-1-yl]-[3,5-bis(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[2-benzyl-4-[4-[1-[(2-methyl-1,3-oxazol-5-yl)methyl]benzimidazol-2-yl]piperazin-1-yl]piperidin-1-yl]-[3,5-bis(trifluoromethyl)phenyl]methanone
PubChem CID11434025
Molecular FormulaC37H36F6N6O2
Molecular Weight710.72 g/mol
Exact Mass710.28
IUPAC Name[2-benzyl-4-[4-[1-[(2-methyl-1,3-oxazol-5-yl)methyl]benzimidazol-2-yl]piperazin-1-yl]piperidin-1-yl]-[3,5-bis(trifluoromethyl)phenyl]methanone
SMILESCc1ncc(Cn2c(N3CCN(C4CCN(C(=O)c5cc(C(F)(F)F)cc(C(F)(F)F)c5)C(Cc5ccccc5)C4)CC3)nc3ccccc32)o1
InChIInChI=1S/C37H36F6N6O2/c1-24-44-22-31(51-24)23-49-33-10-6-5-9-32(33)45-35(49)47-15-13-46(14-16-47)29-11-12-48(30(21-29)17-25-7-3-2-4-8-25)34(50)26-18-27(36(38,39)40)20-28(19-26)37(41,42)43/h2-10,18-20,22,29-30H,11-17,21,23H2,1H3
InChIKeySWUUJVRQDQMXGB-UHFFFAOYSA-N
XLogP7.46
TPSA70.64 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.72
LogP ≤ 57.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [2-benzyl-4-[4-[1-[(2-methyl-1,3-oxazol-5-yl)methyl]benzimidazol-2-yl]piperazin-1-yl]piperidin-1-yl]-[3,5-bis(trifluoromethyl)phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-benzyl-4-[4-[1-[(2-methyl-1,3-oxazol-5-yl)methyl]benzimidazol-2-yl]piperazin-1-yl]piperidin-1-yl]-[3,5-bis(trifluoromethyl)phenyl]methanone?
The IUPAC name of [2-benzyl-4-[4-[1-[(2-methyl-1,3-oxazol-5-yl)methyl]benzimidazol-2-yl]piperazin-1-yl]piperidin-1-yl]-[3,5-bis(trifluoromethyl)phenyl]methanone (CID 11434025) is [2-benzyl-4-[4-[1-[(2-methyl-1,3-oxazol-5-yl)methyl]benzimidazol-2-yl]piperazin-1-yl]piperidin-1-yl]-[3,5-bis(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [2-benzyl-4-[4-[1-[(2-methyl-1,3-oxazol-5-yl)methyl]benzimidazol-2-yl]piperazin-1-yl]piperidin-1-yl]-[3,5-bis(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [2-benzyl-4-[4-[1-[(2-methyl-1,3-oxazol-5-yl)methyl]benzimidazol-2-yl]piperazin-1-yl]piperidin-1-yl]-[3,5-bis(trifluoromethyl)phenyl]methanone is Cc1ncc(Cn2c(N3CCN(C4CCN(C(=O)c5cc(C(F)(F)F)cc(C(F)(F)F)c5)C(Cc5ccccc5)C4)CC3)nc3ccccc32)o1.
What is the InChIKey of [2-benzyl-4-[4-[1-[(2-methyl-1,3-oxazol-5-yl)methyl]benzimidazol-2-yl]piperazin-1-yl]piperidin-1-yl]-[3,5-bis(trifluoromethyl)phenyl]methanone?
The InChIKey is SWUUJVRQDQMXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H36F6N6O2/c1-24-44-22-31(51-24)23-49-33-10-6-5-9-32(33)45-35(49)47-15-13-46(14-16-47)29-11-12-48(30(21-29)17-25-7-3-2-4-8-25)34(50)26-18-27(36(38,39)40)20-28(19-26)37(41,42)43/h2-10,18-20,22,29-30H,11-17,21,23H2,1H3.
What are the key properties of [2-benzyl-4-[4-[1-[(2-methyl-1,3-oxazol-5-yl)methyl]benzimidazol-2-yl]piperazin-1-yl]piperidin-1-yl]-[3,5-bis(trifluoromethyl)phenyl]methanone?
[2-benzyl-4-[4-[1-[(2-methyl-1,3-oxazol-5-yl)methyl]benzimidazol-2-yl]piperazin-1-yl]piperidin-1-yl]-[3,5-bis(trifluoromethyl)phenyl]methanone has a molecular weight of 710.72 g/mol, XLogP of 7.46, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-benzyl-4-[4-[1-[(2-methyl-1,3-oxazol-5-yl)methyl]benzimidazol-2-yl]piperazin-1-yl]piperidin-1-yl]-[3,5-bis(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 11434025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).