1-cyclopentyl-2-[3-(trifluoromethyl)anilino]-4H-imidazol-5-one

C15H16F3N3O — CID 655723

IUPAC1-cyclopentyl-2-[3-(trifluoromethyl)anilino]-4H-imidazol-5-one
SMILESO=C1CN=C(Nc2cccc(C(F)(F)F)c2)N1C1CCCC1
InChIInChI=1S/C15H16F3N3O/c16-15(17,18)10-4-3-5-11(8-10)20-14-19-9-13(22)21(14)12-6-1-2-7-12/h3-5,8,12H,1-2,6-7,9H2,(H,19,20)
InChIKeyGCDGOKUEFLWBAT-UHFFFAOYSA-N
MW311.31 g/mol
LogP3.26
Rot. Bonds2

About 1-cyclopentyl-2-[3-(trifluoromethyl)anilino]-4H-imidazol-5-one

1-cyclopentyl-2-[3-(trifluoromethyl)anilino]-4H-imidazol-5-one (PubChem CID 655723) has the molecular formula C15H16F3N3O and a molecular weight of 311.31 g/mol. Its IUPAC name is 1-cyclopentyl-2-[3-(trifluoromethyl)anilino]-4H-imidazol-5-one.

Molecular Properties

Compound Name1-cyclopentyl-2-[3-(trifluoromethyl)anilino]-4H-imidazol-5-one
PubChem CID655723
Molecular FormulaC15H16F3N3O
Molecular Weight311.31 g/mol
Exact Mass311.12
IUPAC Name1-cyclopentyl-2-[3-(trifluoromethyl)anilino]-4H-imidazol-5-one
SMILESO=C1CN=C(Nc2cccc(C(F)(F)F)c2)N1C1CCCC1
InChIInChI=1S/C15H16F3N3O/c16-15(17,18)10-4-3-5-11(8-10)20-14-19-9-13(22)21(14)12-6-1-2-7-12/h3-5,8,12H,1-2,6-7,9H2,(H,19,20)
InChIKeyGCDGOKUEFLWBAT-UHFFFAOYSA-N
XLogP3.26
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[3-(trifluoromethyl)anilino]-4H-imidazol-5-one?
The IUPAC name of 1-cyclopentyl-2-[3-(trifluoromethyl)anilino]-4H-imidazol-5-one (CID 655723) is 1-cyclopentyl-2-[3-(trifluoromethyl)anilino]-4H-imidazol-5-one.
What is the SMILES notation for 1-cyclopentyl-2-[3-(trifluoromethyl)anilino]-4H-imidazol-5-one?
The canonical SMILES for 1-cyclopentyl-2-[3-(trifluoromethyl)anilino]-4H-imidazol-5-one is O=C1CN=C(Nc2cccc(C(F)(F)F)c2)N1C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-[3-(trifluoromethyl)anilino]-4H-imidazol-5-one?
The InChIKey is GCDGOKUEFLWBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O/c16-15(17,18)10-4-3-5-11(8-10)20-14-19-9-13(22)21(14)12-6-1-2-7-12/h3-5,8,12H,1-2,6-7,9H2,(H,19,20).
What are the key properties of 1-cyclopentyl-2-[3-(trifluoromethyl)anilino]-4H-imidazol-5-one?
1-cyclopentyl-2-[3-(trifluoromethyl)anilino]-4H-imidazol-5-one has a molecular weight of 311.31 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[3-(trifluoromethyl)anilino]-4H-imidazol-5-one is sourced from PubChem (CID 655723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).