N-[2-oxo-2-[[4-phenyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]amino]ethyl]-N-prop-2-enylbenzamide

C28H23F3N4O2 — CID 46146230

IUPACN-[2-oxo-2-[[4-phenyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]amino]ethyl]-N-prop-2-enylbenzamide
SMILESC=CCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(C(F)(F)F)cc1)C(=O)c1ccccc1
InChIInChI=1S/C28H23F3N4O2/c1-2-17-34(26(37)21-11-7-4-8-12-21)19-25(36)33-27-32-24(20-9-5-3-6-10-20)18-35(27)23-15-13-22(14-16-23)28(29,30)31/h2-16,18H,1,17,19H2,(H,32,33,36)
InChIKeyRFTDMEYEJUUWFH-UHFFFAOYSA-N
MW504.51 g/mol
LogP5.82
Rot. Bonds8

About N-[2-oxo-2-[[4-phenyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]amino]ethyl]-N-prop-2-enylbenzamide

N-[2-oxo-2-[[4-phenyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]amino]ethyl]-N-prop-2-enylbenzamide (PubChem CID 46146230) has the molecular formula C28H23F3N4O2 and a molecular weight of 504.51 g/mol. Its IUPAC name is N-[2-oxo-2-[[4-phenyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]amino]ethyl]-N-prop-2-enylbenzamide.

Molecular Properties

Compound NameN-[2-oxo-2-[[4-phenyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]amino]ethyl]-N-prop-2-enylbenzamide
PubChem CID46146230
Molecular FormulaC28H23F3N4O2
Molecular Weight504.51 g/mol
Exact Mass504.18
IUPAC NameN-[2-oxo-2-[[4-phenyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]amino]ethyl]-N-prop-2-enylbenzamide
SMILESC=CCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(C(F)(F)F)cc1)C(=O)c1ccccc1
InChIInChI=1S/C28H23F3N4O2/c1-2-17-34(26(37)21-11-7-4-8-12-21)19-25(36)33-27-32-24(20-9-5-3-6-10-20)18-35(27)23-15-13-22(14-16-23)28(29,30)31/h2-16,18H,1,17,19H2,(H,32,33,36)
InChIKeyRFTDMEYEJUUWFH-UHFFFAOYSA-N
XLogP5.82
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.51
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[[4-phenyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]amino]ethyl]-N-prop-2-enylbenzamide?
The IUPAC name of N-[2-oxo-2-[[4-phenyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]amino]ethyl]-N-prop-2-enylbenzamide (CID 46146230) is N-[2-oxo-2-[[4-phenyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]amino]ethyl]-N-prop-2-enylbenzamide.
What is the SMILES notation for N-[2-oxo-2-[[4-phenyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]amino]ethyl]-N-prop-2-enylbenzamide?
The canonical SMILES for N-[2-oxo-2-[[4-phenyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]amino]ethyl]-N-prop-2-enylbenzamide is C=CCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(C(F)(F)F)cc1)C(=O)c1ccccc1.
What is the InChIKey of N-[2-oxo-2-[[4-phenyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]amino]ethyl]-N-prop-2-enylbenzamide?
The InChIKey is RFTDMEYEJUUWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23F3N4O2/c1-2-17-34(26(37)21-11-7-4-8-12-21)19-25(36)33-27-32-24(20-9-5-3-6-10-20)18-35(27)23-15-13-22(14-16-23)28(29,30)31/h2-16,18H,1,17,19H2,(H,32,33,36).
What are the key properties of N-[2-oxo-2-[[4-phenyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]amino]ethyl]-N-prop-2-enylbenzamide?
N-[2-oxo-2-[[4-phenyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]amino]ethyl]-N-prop-2-enylbenzamide has a molecular weight of 504.51 g/mol, XLogP of 5.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[[4-phenyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]amino]ethyl]-N-prop-2-enylbenzamide is sourced from PubChem (CID 46146230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).