2-oxo-3-[3-(trifluoromethyl)phenyl]imidazole-1-carboxamide

C11H8F3N3O2 — CID 140722626

IUPAC2-oxo-3-[3-(trifluoromethyl)phenyl]imidazole-1-carboxamide
SMILESNC(=O)n1ccn(-c2cccc(C(F)(F)F)c2)c1=O
InChIInChI=1S/C11H8F3N3O2/c12-11(13,14)7-2-1-3-8(6-7)16-4-5-17(9(15)18)10(16)19/h1-6H,(H2,15,18)
InChIKeyZIJBMZTTYFRAQS-UHFFFAOYSA-N
MW271.20 g/mol
LogP1.58
Rot. Bonds1

About 2-oxo-3-[3-(trifluoromethyl)phenyl]imidazole-1-carboxamide

2-oxo-3-[3-(trifluoromethyl)phenyl]imidazole-1-carboxamide (PubChem CID 140722626) has the molecular formula C11H8F3N3O2 and a molecular weight of 271.20 g/mol. Its IUPAC name is 2-oxo-3-[3-(trifluoromethyl)phenyl]imidazole-1-carboxamide.

Molecular Properties

Compound Name2-oxo-3-[3-(trifluoromethyl)phenyl]imidazole-1-carboxamide
PubChem CID140722626
Molecular FormulaC11H8F3N3O2
Molecular Weight271.20 g/mol
Exact Mass271.06
IUPAC Name2-oxo-3-[3-(trifluoromethyl)phenyl]imidazole-1-carboxamide
SMILESNC(=O)n1ccn(-c2cccc(C(F)(F)F)c2)c1=O
InChIInChI=1S/C11H8F3N3O2/c12-11(13,14)7-2-1-3-8(6-7)16-4-5-17(9(15)18)10(16)19/h1-6H,(H2,15,18)
InChIKeyZIJBMZTTYFRAQS-UHFFFAOYSA-N
XLogP1.58
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 59436157
4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine
CID 172992549
3-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2-one
CID 18439300
2-methyl-1-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxylic acid
CID 82362503
1-phenyl-3-[4-(trifluoromethyl)phenyl]imidazol-2-one
CID 16719924
5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 121229069
1-oxo-2-[3-(trifluoromethyl)phenyl]isoquinoline-4-carboxylic acid
CID 4101882
1-[3-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-one
CID 142666921
6-amino-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione
CID 91669634
4-methyl-2-[3-(trifluoromethyl)phenyl]-1,2,4-thiadiazolidine-3,5-dione
CID 134116227
3-chloro-4-[hydroxy(methyl)amino]-1-[3-(trifluoromethyl)phenyl]pyridin-2-one
CID 88847440
1-methyl-3-[4-[3-(trifluoromethyl)phenoxy]phenyl]imidazol-2-one
CID 13020007

Frequently Asked Questions

What is the IUPAC name of 2-oxo-3-[3-(trifluoromethyl)phenyl]imidazole-1-carboxamide?
The IUPAC name of 2-oxo-3-[3-(trifluoromethyl)phenyl]imidazole-1-carboxamide (CID 140722626) is 2-oxo-3-[3-(trifluoromethyl)phenyl]imidazole-1-carboxamide.
What is the SMILES notation for 2-oxo-3-[3-(trifluoromethyl)phenyl]imidazole-1-carboxamide?
The canonical SMILES for 2-oxo-3-[3-(trifluoromethyl)phenyl]imidazole-1-carboxamide is NC(=O)n1ccn(-c2cccc(C(F)(F)F)c2)c1=O.
What is the InChIKey of 2-oxo-3-[3-(trifluoromethyl)phenyl]imidazole-1-carboxamide?
The InChIKey is ZIJBMZTTYFRAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O2/c12-11(13,14)7-2-1-3-8(6-7)16-4-5-17(9(15)18)10(16)19/h1-6H,(H2,15,18).
What are the key properties of 2-oxo-3-[3-(trifluoromethyl)phenyl]imidazole-1-carboxamide?
2-oxo-3-[3-(trifluoromethyl)phenyl]imidazole-1-carboxamide has a molecular weight of 271.20 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-3-[3-(trifluoromethyl)phenyl]imidazole-1-carboxamide is sourced from PubChem (CID 140722626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).