3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-N,N-dimethylimidazole-4-carboxamide

C20H15F6N3O — CID 46081531

IUPAC3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-N,N-dimethylimidazole-4-carboxamide
SMILESCN(C)C(=O)c1cncn1-c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1
InChIInChI=1S/C20H15F6N3O/c1-28(2)18(30)17-10-27-11-29(17)16-5-3-12(4-6-16)13-7-14(19(21,22)23)9-15(8-13)20(24,25)26/h3-11H,1-2H3
InChIKeyLATXPZBVAXZNAO-UHFFFAOYSA-N
MW427.35 g/mol
LogP5.28
Rot. Bonds3

About 3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-N,N-dimethylimidazole-4-carboxamide

3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-N,N-dimethylimidazole-4-carboxamide (PubChem CID 46081531) has the molecular formula C20H15F6N3O and a molecular weight of 427.35 g/mol. Its IUPAC name is 3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-N,N-dimethylimidazole-4-carboxamide.

Molecular Properties

Compound Name3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-N,N-dimethylimidazole-4-carboxamide
PubChem CID46081531
Molecular FormulaC20H15F6N3O
Molecular Weight427.35 g/mol
Exact Mass427.11
IUPAC Name3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-N,N-dimethylimidazole-4-carboxamide
SMILESCN(C)C(=O)c1cncn1-c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1
InChIInChI=1S/C20H15F6N3O/c1-28(2)18(30)17-10-27-11-29(17)16-5-3-12(4-6-16)13-7-14(19(21,22)23)9-15(8-13)20(24,25)26/h3-11H,1-2H3
InChIKeyLATXPZBVAXZNAO-UHFFFAOYSA-N
XLogP5.28
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.35
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-N,N-dimethylimidazole-4-carboxamide?
The IUPAC name of 3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-N,N-dimethylimidazole-4-carboxamide (CID 46081531) is 3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-N,N-dimethylimidazole-4-carboxamide.
What is the SMILES notation for 3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-N,N-dimethylimidazole-4-carboxamide?
The canonical SMILES for 3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-N,N-dimethylimidazole-4-carboxamide is CN(C)C(=O)c1cncn1-c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1.
What is the InChIKey of 3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-N,N-dimethylimidazole-4-carboxamide?
The InChIKey is LATXPZBVAXZNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F6N3O/c1-28(2)18(30)17-10-27-11-29(17)16-5-3-12(4-6-16)13-7-14(19(21,22)23)9-15(8-13)20(24,25)26/h3-11H,1-2H3.
What are the key properties of 3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-N,N-dimethylimidazole-4-carboxamide?
3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-N,N-dimethylimidazole-4-carboxamide has a molecular weight of 427.35 g/mol, XLogP of 5.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-N,N-dimethylimidazole-4-carboxamide is sourced from PubChem (CID 46081531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).