(4R)-2-amino-4-(3-bromo-4-fluorophenyl)-1-methyl-4H-imidazol-5-one

C10H9BrFN3O — CID 70822455

IUPAC(4R)-2-amino-4-(3-bromo-4-fluorophenyl)-1-methyl-4H-imidazol-5-one
SMILESCN1C(=O)[C@@H](c2ccc(F)c(Br)c2)N=C1N
InChIInChI=1S/C10H9BrFN3O/c1-15-9(16)8(14-10(15)13)5-2-3-7(12)6(11)4-5/h2-4,8H,1H3,(H2,13,14)/t8-/m1/s1
InChIKeyCWYJWLTUBQRLBJ-MRVPVSSYSA-N
MW286.10 g/mol
LogP1.42
Rot. Bonds1

About (4R)-2-amino-4-(3-bromo-4-fluorophenyl)-1-methyl-4H-imidazol-5-one

(4R)-2-amino-4-(3-bromo-4-fluorophenyl)-1-methyl-4H-imidazol-5-one (PubChem CID 70822455) has the molecular formula C10H9BrFN3O and a molecular weight of 286.10 g/mol. Its IUPAC name is (4R)-2-amino-4-(3-bromo-4-fluorophenyl)-1-methyl-4H-imidazol-5-one.

Molecular Properties

Compound Name(4R)-2-amino-4-(3-bromo-4-fluorophenyl)-1-methyl-4H-imidazol-5-one
PubChem CID70822455
Molecular FormulaC10H9BrFN3O
Molecular Weight286.10 g/mol
Exact Mass284.99
IUPAC Name(4R)-2-amino-4-(3-bromo-4-fluorophenyl)-1-methyl-4H-imidazol-5-one
SMILESCN1C(=O)[C@@H](c2ccc(F)c(Br)c2)N=C1N
InChIInChI=1S/C10H9BrFN3O/c1-15-9(16)8(14-10(15)13)5-2-3-7(12)6(11)4-5/h2-4,8H,1H3,(H2,13,14)/t8-/m1/s1
InChIKeyCWYJWLTUBQRLBJ-MRVPVSSYSA-N
XLogP1.42
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.10
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-amino-4-(3-bromo-4-fluorophenyl)-1-methyl-4H-imidazol-5-one?
The IUPAC name of (4R)-2-amino-4-(3-bromo-4-fluorophenyl)-1-methyl-4H-imidazol-5-one (CID 70822455) is (4R)-2-amino-4-(3-bromo-4-fluorophenyl)-1-methyl-4H-imidazol-5-one.
What is the SMILES notation for (4R)-2-amino-4-(3-bromo-4-fluorophenyl)-1-methyl-4H-imidazol-5-one?
The canonical SMILES for (4R)-2-amino-4-(3-bromo-4-fluorophenyl)-1-methyl-4H-imidazol-5-one is CN1C(=O)[C@@H](c2ccc(F)c(Br)c2)N=C1N.
What is the InChIKey of (4R)-2-amino-4-(3-bromo-4-fluorophenyl)-1-methyl-4H-imidazol-5-one?
The InChIKey is CWYJWLTUBQRLBJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H9BrFN3O/c1-15-9(16)8(14-10(15)13)5-2-3-7(12)6(11)4-5/h2-4,8H,1H3,(H2,13,14)/t8-/m1/s1.
What are the key properties of (4R)-2-amino-4-(3-bromo-4-fluorophenyl)-1-methyl-4H-imidazol-5-one?
(4R)-2-amino-4-(3-bromo-4-fluorophenyl)-1-methyl-4H-imidazol-5-one has a molecular weight of 286.10 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-amino-4-(3-bromo-4-fluorophenyl)-1-methyl-4H-imidazol-5-one is sourced from PubChem (CID 70822455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).