3-methyl-5-(4-methylpentan-2-ylamino)-4-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-one

C17H22F3N3O — CID 123762350

IUPAC3-methyl-5-(4-methylpentan-2-ylamino)-4-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-one
SMILESCC(C)CC(C)Nc1[nH]c(=O)n(C)c1-c1ccccc1C(F)(F)F
InChIInChI=1S/C17H22F3N3O/c1-10(2)9-11(3)21-15-14(23(4)16(24)22-15)12-7-5-6-8-13(12)17(18,19)20/h5-8,10-11,21H,9H2,1-4H3,(H,22,24)
InChIKeyVVFVEINYRZCQSV-UHFFFAOYSA-N
MW341.38 g/mol
LogP4.25
Rot. Bonds5

About 3-methyl-5-(4-methylpentan-2-ylamino)-4-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-one

3-methyl-5-(4-methylpentan-2-ylamino)-4-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-one (PubChem CID 123762350) has the molecular formula C17H22F3N3O and a molecular weight of 341.38 g/mol. Its IUPAC name is 3-methyl-5-(4-methylpentan-2-ylamino)-4-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-methyl-5-(4-methylpentan-2-ylamino)-4-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-one
PubChem CID123762350
Molecular FormulaC17H22F3N3O
Molecular Weight341.38 g/mol
Exact Mass341.17
IUPAC Name3-methyl-5-(4-methylpentan-2-ylamino)-4-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-one
SMILESCC(C)CC(C)Nc1[nH]c(=O)n(C)c1-c1ccccc1C(F)(F)F
InChIInChI=1S/C17H22F3N3O/c1-10(2)9-11(3)21-15-14(23(4)16(24)22-15)12-7-5-6-8-13(12)17(18,19)20/h5-8,10-11,21H,9H2,1-4H3,(H,22,24)
InChIKeyVVFVEINYRZCQSV-UHFFFAOYSA-N
XLogP4.25
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(4-methylpentan-2-ylamino)-4-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-one?
The IUPAC name of 3-methyl-5-(4-methylpentan-2-ylamino)-4-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-one (CID 123762350) is 3-methyl-5-(4-methylpentan-2-ylamino)-4-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-methyl-5-(4-methylpentan-2-ylamino)-4-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-one?
The canonical SMILES for 3-methyl-5-(4-methylpentan-2-ylamino)-4-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-one is CC(C)CC(C)Nc1[nH]c(=O)n(C)c1-c1ccccc1C(F)(F)F.
What is the InChIKey of 3-methyl-5-(4-methylpentan-2-ylamino)-4-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-one?
The InChIKey is VVFVEINYRZCQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N3O/c1-10(2)9-11(3)21-15-14(23(4)16(24)22-15)12-7-5-6-8-13(12)17(18,19)20/h5-8,10-11,21H,9H2,1-4H3,(H,22,24).
What are the key properties of 3-methyl-5-(4-methylpentan-2-ylamino)-4-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-one?
3-methyl-5-(4-methylpentan-2-ylamino)-4-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-one has a molecular weight of 341.38 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(4-methylpentan-2-ylamino)-4-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-one is sourced from PubChem (CID 123762350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).