1-(3,5-dimethyl-2-oxo-1-phenylimidazol-4-yl)-3-[2-(trifluoromethyl)phenyl]urea

C19H17F3N4O2 — CID 2991543

IUPAC1-(3,5-dimethyl-2-oxo-1-phenylimidazol-4-yl)-3-[2-(trifluoromethyl)phenyl]urea
SMILESCc1c(NC(=O)Nc2ccccc2C(F)(F)F)n(C)c(=O)n1-c1ccccc1
InChIInChI=1S/C19H17F3N4O2/c1-12-16(25(2)18(28)26(12)13-8-4-3-5-9-13)24-17(27)23-15-11-7-6-10-14(15)19(20,21)22/h3-11H,1-2H3,(H2,23,24,27)
InChIKeyZVTHGNXVEXQTBB-UHFFFAOYSA-N
MW390.37 g/mol
LogP4.15
Rot. Bonds3

About 1-(3,5-dimethyl-2-oxo-1-phenylimidazol-4-yl)-3-[2-(trifluoromethyl)phenyl]urea

1-(3,5-dimethyl-2-oxo-1-phenylimidazol-4-yl)-3-[2-(trifluoromethyl)phenyl]urea (PubChem CID 2991543) has the molecular formula C19H17F3N4O2 and a molecular weight of 390.37 g/mol. Its IUPAC name is 1-(3,5-dimethyl-2-oxo-1-phenylimidazol-4-yl)-3-[2-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(3,5-dimethyl-2-oxo-1-phenylimidazol-4-yl)-3-[2-(trifluoromethyl)phenyl]urea
PubChem CID2991543
Molecular FormulaC19H17F3N4O2
Molecular Weight390.37 g/mol
Exact Mass390.13
IUPAC Name1-(3,5-dimethyl-2-oxo-1-phenylimidazol-4-yl)-3-[2-(trifluoromethyl)phenyl]urea
SMILESCc1c(NC(=O)Nc2ccccc2C(F)(F)F)n(C)c(=O)n1-c1ccccc1
InChIInChI=1S/C19H17F3N4O2/c1-12-16(25(2)18(28)26(12)13-8-4-3-5-9-13)24-17(27)23-15-11-7-6-10-14(15)19(20,21)22/h3-11H,1-2H3,(H2,23,24,27)
InChIKeyZVTHGNXVEXQTBB-UHFFFAOYSA-N
XLogP4.15
TPSA68.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-2-oxo-1-phenylimidazol-4-yl)-3-[2-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(3,5-dimethyl-2-oxo-1-phenylimidazol-4-yl)-3-[2-(trifluoromethyl)phenyl]urea (CID 2991543) is 1-(3,5-dimethyl-2-oxo-1-phenylimidazol-4-yl)-3-[2-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(3,5-dimethyl-2-oxo-1-phenylimidazol-4-yl)-3-[2-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(3,5-dimethyl-2-oxo-1-phenylimidazol-4-yl)-3-[2-(trifluoromethyl)phenyl]urea is Cc1c(NC(=O)Nc2ccccc2C(F)(F)F)n(C)c(=O)n1-c1ccccc1.
What is the InChIKey of 1-(3,5-dimethyl-2-oxo-1-phenylimidazol-4-yl)-3-[2-(trifluoromethyl)phenyl]urea?
The InChIKey is ZVTHGNXVEXQTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O2/c1-12-16(25(2)18(28)26(12)13-8-4-3-5-9-13)24-17(27)23-15-11-7-6-10-14(15)19(20,21)22/h3-11H,1-2H3,(H2,23,24,27).
What are the key properties of 1-(3,5-dimethyl-2-oxo-1-phenylimidazol-4-yl)-3-[2-(trifluoromethyl)phenyl]urea?
1-(3,5-dimethyl-2-oxo-1-phenylimidazol-4-yl)-3-[2-(trifluoromethyl)phenyl]urea has a molecular weight of 390.37 g/mol, XLogP of 4.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-2-oxo-1-phenylimidazol-4-yl)-3-[2-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 2991543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).