1-(3,5-dimethyl-2-oxo-1-phenylimidazol-4-yl)-3-(2-fluorophenyl)urea

C18H17FN4O2 — CID 2988639

IUPAC1-(3,5-dimethyl-2-oxo-1-phenylimidazol-4-yl)-3-(2-fluorophenyl)urea
SMILESCc1c(NC(=O)Nc2ccccc2F)n(C)c(=O)n1-c1ccccc1
InChIInChI=1S/C18H17FN4O2/c1-12-16(21-17(24)20-15-11-7-6-10-14(15)19)22(2)18(25)23(12)13-8-4-3-5-9-13/h3-11H,1-2H3,(H2,20,21,24)
InChIKeyIYSANKHJXILXNN-UHFFFAOYSA-N
MW340.36 g/mol
LogP3.27
Rot. Bonds3

About 1-(3,5-dimethyl-2-oxo-1-phenylimidazol-4-yl)-3-(2-fluorophenyl)urea

1-(3,5-dimethyl-2-oxo-1-phenylimidazol-4-yl)-3-(2-fluorophenyl)urea (PubChem CID 2988639) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is 1-(3,5-dimethyl-2-oxo-1-phenylimidazol-4-yl)-3-(2-fluorophenyl)urea.

Molecular Properties

Compound Name1-(3,5-dimethyl-2-oxo-1-phenylimidazol-4-yl)-3-(2-fluorophenyl)urea
PubChem CID2988639
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC Name1-(3,5-dimethyl-2-oxo-1-phenylimidazol-4-yl)-3-(2-fluorophenyl)urea
SMILESCc1c(NC(=O)Nc2ccccc2F)n(C)c(=O)n1-c1ccccc1
InChIInChI=1S/C18H17FN4O2/c1-12-16(21-17(24)20-15-11-7-6-10-14(15)19)22(2)18(25)23(12)13-8-4-3-5-9-13/h3-11H,1-2H3,(H2,20,21,24)
InChIKeyIYSANKHJXILXNN-UHFFFAOYSA-N
XLogP3.27
TPSA68.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 53.27
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-fluorophenyl)urea?
The IUPAC name of 1-(3,5-dimethyl-2-oxo-1-phenylimidazol-4-yl)-3-(2-fluorophenyl)urea (CID 2988639) is 1-(3,5-dimethyl-2-oxo-1-phenylimidazol-4-yl)-3-(2-fluorophenyl)urea.
What is the SMILES notation for 1-(3,5-dimethyl-2-oxo-1-phenylimidazol-4-yl)-3-(2-fluorophenyl)urea?
The canonical SMILES for 1-(3,5-dimethyl-2-oxo-1-phenylimidazol-4-yl)-3-(2-fluorophenyl)urea is Cc1c(NC(=O)Nc2ccccc2F)n(C)c(=O)n1-c1ccccc1.
What is the InChIKey of 1-(3,5-dimethyl-2-oxo-1-phenylimidazol-4-yl)-3-(2-fluorophenyl)urea?
The InChIKey is IYSANKHJXILXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c1-12-16(21-17(24)20-15-11-7-6-10-14(15)19)22(2)18(25)23(12)13-8-4-3-5-9-13/h3-11H,1-2H3,(H2,20,21,24).
What are the key properties of 1-(3,5-dimethyl-2-oxo-1-phenylimidazol-4-yl)-3-(2-fluorophenyl)urea?
1-(3,5-dimethyl-2-oxo-1-phenylimidazol-4-yl)-3-(2-fluorophenyl)urea has a molecular weight of 340.36 g/mol, XLogP of 3.27, 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-fluorophenyl)urea is sourced from PubChem (CID 2988639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).