1-[5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazol-2-yl]imidazolidin-2-one

C18H14F3N5O2 — CID 155211888

IUPAC1-[5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazol-2-yl]imidazolidin-2-one
SMILESO=C1NCCN1c1nnc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C18H14F3N5O2/c19-18(20,21)11-5-7-12(8-6-11)23-14-4-2-1-3-13(14)15-24-25-17(28-15)26-10-9-22-16(26)27/h1-8,23H,9-10H2,(H,22,27)
InChIKeyYLTXHIZTLBTVDQ-UHFFFAOYSA-N
MW389.34 g/mol
LogP4.03
Rot. Bonds4

About 1-[5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazol-2-yl]imidazolidin-2-one

1-[5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazol-2-yl]imidazolidin-2-one (PubChem CID 155211888) has the molecular formula C18H14F3N5O2 and a molecular weight of 389.34 g/mol. Its IUPAC name is 1-[5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazol-2-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazol-2-yl]imidazolidin-2-one
PubChem CID155211888
Molecular FormulaC18H14F3N5O2
Molecular Weight389.34 g/mol
Exact Mass389.11
IUPAC Name1-[5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazol-2-yl]imidazolidin-2-one
SMILESO=C1NCCN1c1nnc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C18H14F3N5O2/c19-18(20,21)11-5-7-12(8-6-11)23-14-4-2-1-3-13(14)15-24-25-17(28-15)26-10-9-22-16(26)27/h1-8,23H,9-10H2,(H,22,27)
InChIKeyYLTXHIZTLBTVDQ-UHFFFAOYSA-N
XLogP4.03
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.34
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazol-2-yl]imidazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazol-2-yl]imidazolidin-2-one?
The IUPAC name of 1-[5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazol-2-yl]imidazolidin-2-one (CID 155211888) is 1-[5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazol-2-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazol-2-yl]imidazolidin-2-one?
The canonical SMILES for 1-[5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazol-2-yl]imidazolidin-2-one is O=C1NCCN1c1nnc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)o1.
What is the InChIKey of 1-[5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazol-2-yl]imidazolidin-2-one?
The InChIKey is YLTXHIZTLBTVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N5O2/c19-18(20,21)11-5-7-12(8-6-11)23-14-4-2-1-3-13(14)15-24-25-17(28-15)26-10-9-22-16(26)27/h1-8,23H,9-10H2,(H,22,27).
What are the key properties of 1-[5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazol-2-yl]imidazolidin-2-one?
1-[5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazol-2-yl]imidazolidin-2-one has a molecular weight of 389.34 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazol-2-yl]imidazolidin-2-one is sourced from PubChem (CID 155211888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).