5-amino-3-(2-methylpropyl)-4-[2-(trifluoromethyl)phenyl]-4H-imidazol-2-one

C14H16F3N3O — CID 79959841

IUPAC5-amino-3-(2-methylpropyl)-4-[2-(trifluoromethyl)phenyl]-4H-imidazol-2-one
SMILESCC(C)CN1C(=O)N=C(N)C1c1ccccc1C(F)(F)F
InChIInChI=1S/C14H16F3N3O/c1-8(2)7-20-11(12(18)19-13(20)21)9-5-3-4-6-10(9)14(15,16)17/h3-6,8,11H,7H2,1-2H3,(H2,18,19,21)
InChIKeyBMDPUTIVPYNPSH-UHFFFAOYSA-N
MW299.30 g/mol
LogP3.20
Rot. Bonds3

About 5-amino-3-(2-methylpropyl)-4-[2-(trifluoromethyl)phenyl]-4H-imidazol-2-one

5-amino-3-(2-methylpropyl)-4-[2-(trifluoromethyl)phenyl]-4H-imidazol-2-one (PubChem CID 79959841) has the molecular formula C14H16F3N3O and a molecular weight of 299.30 g/mol. Its IUPAC name is 5-amino-3-(2-methylpropyl)-4-[2-(trifluoromethyl)phenyl]-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-3-(2-methylpropyl)-4-[2-(trifluoromethyl)phenyl]-4H-imidazol-2-one
PubChem CID79959841
Molecular FormulaC14H16F3N3O
Molecular Weight299.30 g/mol
Exact Mass299.12
IUPAC Name5-amino-3-(2-methylpropyl)-4-[2-(trifluoromethyl)phenyl]-4H-imidazol-2-one
SMILESCC(C)CN1C(=O)N=C(N)C1c1ccccc1C(F)(F)F
InChIInChI=1S/C14H16F3N3O/c1-8(2)7-20-11(12(18)19-13(20)21)9-5-3-4-6-10(9)14(15,16)17/h3-6,8,11H,7H2,1-2H3,(H2,18,19,21)
InChIKeyBMDPUTIVPYNPSH-UHFFFAOYSA-N
XLogP3.20
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(2-methylpropyl)-4-[2-(trifluoromethyl)phenyl]-4H-imidazol-2-one?
The IUPAC name of 5-amino-3-(2-methylpropyl)-4-[2-(trifluoromethyl)phenyl]-4H-imidazol-2-one (CID 79959841) is 5-amino-3-(2-methylpropyl)-4-[2-(trifluoromethyl)phenyl]-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-3-(2-methylpropyl)-4-[2-(trifluoromethyl)phenyl]-4H-imidazol-2-one?
The canonical SMILES for 5-amino-3-(2-methylpropyl)-4-[2-(trifluoromethyl)phenyl]-4H-imidazol-2-one is CC(C)CN1C(=O)N=C(N)C1c1ccccc1C(F)(F)F.
What is the InChIKey of 5-amino-3-(2-methylpropyl)-4-[2-(trifluoromethyl)phenyl]-4H-imidazol-2-one?
The InChIKey is BMDPUTIVPYNPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O/c1-8(2)7-20-11(12(18)19-13(20)21)9-5-3-4-6-10(9)14(15,16)17/h3-6,8,11H,7H2,1-2H3,(H2,18,19,21).
What are the key properties of 5-amino-3-(2-methylpropyl)-4-[2-(trifluoromethyl)phenyl]-4H-imidazol-2-one?
5-amino-3-(2-methylpropyl)-4-[2-(trifluoromethyl)phenyl]-4H-imidazol-2-one has a molecular weight of 299.30 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(2-methylpropyl)-4-[2-(trifluoromethyl)phenyl]-4H-imidazol-2-one is sourced from PubChem (CID 79959841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).