2-amino-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-methyl-5-(2-methylpropyl)imidazol-4-one

C17H23F2N3O — CID 162544157

IUPAC2-amino-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-methyl-5-(2-methylpropyl)imidazol-4-one
SMILESCC(C)CC1(C)N=C(N)N(Cc2ccc(C(C)(F)F)cc2)C1=O
InChIInChI=1S/C17H23F2N3O/c1-11(2)9-16(3)14(23)22(15(20)21-16)10-12-5-7-13(8-6-12)17(4,18)19/h5-8,11H,9-10H2,1-4H3,(H2,20,21)
InChIKeyFRHJZUJFSCPEMT-UHFFFAOYSA-N
MW323.39 g/mol
LogP3.26
Rot. Bonds5

About 2-amino-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-methyl-5-(2-methylpropyl)imidazol-4-one

2-amino-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-methyl-5-(2-methylpropyl)imidazol-4-one (PubChem CID 162544157) has the molecular formula C17H23F2N3O and a molecular weight of 323.39 g/mol. Its IUPAC name is 2-amino-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-methyl-5-(2-methylpropyl)imidazol-4-one.

Molecular Properties

Compound Name2-amino-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-methyl-5-(2-methylpropyl)imidazol-4-one
PubChem CID162544157
Molecular FormulaC17H23F2N3O
Molecular Weight323.39 g/mol
Exact Mass323.18
IUPAC Name2-amino-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-methyl-5-(2-methylpropyl)imidazol-4-one
SMILESCC(C)CC1(C)N=C(N)N(Cc2ccc(C(C)(F)F)cc2)C1=O
InChIInChI=1S/C17H23F2N3O/c1-11(2)9-16(3)14(23)22(15(20)21-16)10-12-5-7-13(8-6-12)17(4,18)19/h5-8,11H,9-10H2,1-4H3,(H2,20,21)
InChIKeyFRHJZUJFSCPEMT-UHFFFAOYSA-N
XLogP3.26
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-methyl-5-(2-methylpropyl)imidazol-4-one?
The IUPAC name of 2-amino-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-methyl-5-(2-methylpropyl)imidazol-4-one (CID 162544157) is 2-amino-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-methyl-5-(2-methylpropyl)imidazol-4-one.
What is the SMILES notation for 2-amino-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-methyl-5-(2-methylpropyl)imidazol-4-one?
The canonical SMILES for 2-amino-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-methyl-5-(2-methylpropyl)imidazol-4-one is CC(C)CC1(C)N=C(N)N(Cc2ccc(C(C)(F)F)cc2)C1=O.
What is the InChIKey of 2-amino-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-methyl-5-(2-methylpropyl)imidazol-4-one?
The InChIKey is FRHJZUJFSCPEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2N3O/c1-11(2)9-16(3)14(23)22(15(20)21-16)10-12-5-7-13(8-6-12)17(4,18)19/h5-8,11H,9-10H2,1-4H3,(H2,20,21).
What are the key properties of 2-amino-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-methyl-5-(2-methylpropyl)imidazol-4-one?
2-amino-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-methyl-5-(2-methylpropyl)imidazol-4-one has a molecular weight of 323.39 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-methyl-5-(2-methylpropyl)imidazol-4-one is sourced from PubChem (CID 162544157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).