N-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]-4-(2-imidazol-1-ylethyl)piperazine-1-carboxamide

C25H25F6N5O2 — CID 171093247

IUPACN-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]-4-(2-imidazol-1-ylethyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1)N1CCN(CCn2ccnc2)CC1
InChIInChI=1S/C25H25F6N5O2/c26-24(27,28)19-13-18(14-20(15-19)25(29,30)31)16-38-22-3-1-21(2-4-22)33-23(37)36-11-9-34(10-12-36)7-8-35-6-5-32-17-35/h1-6,13-15,17H,7-12,16H2,(H,33,37)
InChIKeyRDJNGTRLJZHICU-UHFFFAOYSA-N
MW541.50 g/mol
LogP5.35
Rot. Bonds7

About N-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]-4-(2-imidazol-1-ylethyl)piperazine-1-carboxamide

N-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]-4-(2-imidazol-1-ylethyl)piperazine-1-carboxamide (PubChem CID 171093247) has the molecular formula C25H25F6N5O2 and a molecular weight of 541.50 g/mol. Its IUPAC name is N-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]-4-(2-imidazol-1-ylethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]-4-(2-imidazol-1-ylethyl)piperazine-1-carboxamide
PubChem CID171093247
Molecular FormulaC25H25F6N5O2
Molecular Weight541.50 g/mol
Exact Mass541.19
IUPAC NameN-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]-4-(2-imidazol-1-ylethyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1)N1CCN(CCn2ccnc2)CC1
InChIInChI=1S/C25H25F6N5O2/c26-24(27,28)19-13-18(14-20(15-19)25(29,30)31)16-38-22-3-1-21(2-4-22)33-23(37)36-11-9-34(10-12-36)7-8-35-6-5-32-17-35/h1-6,13-15,17H,7-12,16H2,(H,33,37)
InChIKeyRDJNGTRLJZHICU-UHFFFAOYSA-N
XLogP5.35
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.50
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]-4-(2-imidazol-1-ylethyl)piperazine-1-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]-4-(2-pyridin-3-ylethyl)piperazine-1-carboxamide
CID 171093232
4-(2-imidazol-1-ylethyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 90533532
N-[3,5-bis(trifluoromethyl)phenyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 3810723
4-(2-methoxyethyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 113104985
N-[3,5-bis(trifluoromethyl)phenyl]-4-[3-(pyridin-4-ylmethoxy)pyrazin-2-yl]piperazine-1-carboxamide
CID 11756624
4-pyridin-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperazine-1-carboxamide
CID 86988135
4-(2-imidazol-1-ylethyl)-N-prop-2-enylpiperazine-1-carboxamide
CID 90533539
N-[3,5-bis(trifluoromethyl)phenyl]-4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide
CID 122336625
N-(4-butoxyphenyl)-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine-1-carboxamide
CID 90561886
[4-[4-[4-[[4-(trifluoromethyl)phenyl]carbamoyl]piperazin-1-yl]butyl]imidazol-1-yl]thallium
CID 142016387
4-acetyl-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide
CID 108988713
4-imidazol-1-yl-2-piperidin-1-yl-N-[4-(trifluoromethyl)phenyl]butanamide
CID 23202763

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]-4-(2-imidazol-1-ylethyl)piperazine-1-carboxamide?
The IUPAC name of N-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]-4-(2-imidazol-1-ylethyl)piperazine-1-carboxamide (CID 171093247) is N-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]-4-(2-imidazol-1-ylethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]-4-(2-imidazol-1-ylethyl)piperazine-1-carboxamide?
The canonical SMILES for N-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]-4-(2-imidazol-1-ylethyl)piperazine-1-carboxamide is O=C(Nc1ccc(OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1)N1CCN(CCn2ccnc2)CC1.
What is the InChIKey of N-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]-4-(2-imidazol-1-ylethyl)piperazine-1-carboxamide?
The InChIKey is RDJNGTRLJZHICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F6N5O2/c26-24(27,28)19-13-18(14-20(15-19)25(29,30)31)16-38-22-3-1-21(2-4-22)33-23(37)36-11-9-34(10-12-36)7-8-35-6-5-32-17-35/h1-6,13-15,17H,7-12,16H2,(H,33,37).
What are the key properties of N-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]-4-(2-imidazol-1-ylethyl)piperazine-1-carboxamide?
N-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]-4-(2-imidazol-1-ylethyl)piperazine-1-carboxamide has a molecular weight of 541.50 g/mol, XLogP of 5.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]-4-(2-imidazol-1-ylethyl)piperazine-1-carboxamide is sourced from PubChem (CID 171093247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).