(4R)-2-amino-4-benzyl-4-(4-bromophenyl)-1H-imidazol-5-one

C16H14BrN3O — CID 95655142

IUPAC(4R)-2-amino-4-benzyl-4-(4-bromophenyl)-1H-imidazol-5-one
SMILESNC1=N[C@](Cc2ccccc2)(c2ccc(Br)cc2)C(=O)N1
InChIInChI=1S/C16H14BrN3O/c17-13-8-6-12(7-9-13)16(14(21)19-15(18)20-16)10-11-4-2-1-3-5-11/h1-9H,10H2,(H3,18,19,20,21)/t16-/m1/s1
InChIKeyWUKJGYZFDTVELF-MRXNPFEDSA-N
MW344.21 g/mol
LogP2.33
Rot. Bonds3

About (4R)-2-amino-4-benzyl-4-(4-bromophenyl)-1H-imidazol-5-one

(4R)-2-amino-4-benzyl-4-(4-bromophenyl)-1H-imidazol-5-one (PubChem CID 95655142) has the molecular formula C16H14BrN3O and a molecular weight of 344.21 g/mol. Its IUPAC name is (4R)-2-amino-4-benzyl-4-(4-bromophenyl)-1H-imidazol-5-one.

Molecular Properties

Compound Name(4R)-2-amino-4-benzyl-4-(4-bromophenyl)-1H-imidazol-5-one
PubChem CID95655142
Molecular FormulaC16H14BrN3O
Molecular Weight344.21 g/mol
Exact Mass343.03
IUPAC Name(4R)-2-amino-4-benzyl-4-(4-bromophenyl)-1H-imidazol-5-one
SMILESNC1=N[C@](Cc2ccccc2)(c2ccc(Br)cc2)C(=O)N1
InChIInChI=1S/C16H14BrN3O/c17-13-8-6-12(7-9-13)16(14(21)19-15(18)20-16)10-11-4-2-1-3-5-11/h1-9H,10H2,(H3,18,19,20,21)/t16-/m1/s1
InChIKeyWUKJGYZFDTVELF-MRXNPFEDSA-N
XLogP2.33
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-amino-4-benzyl-4-(4-bromophenyl)-1H-imidazol-5-one?
The IUPAC name of (4R)-2-amino-4-benzyl-4-(4-bromophenyl)-1H-imidazol-5-one (CID 95655142) is (4R)-2-amino-4-benzyl-4-(4-bromophenyl)-1H-imidazol-5-one.
What is the SMILES notation for (4R)-2-amino-4-benzyl-4-(4-bromophenyl)-1H-imidazol-5-one?
The canonical SMILES for (4R)-2-amino-4-benzyl-4-(4-bromophenyl)-1H-imidazol-5-one is NC1=N[C@](Cc2ccccc2)(c2ccc(Br)cc2)C(=O)N1.
What is the InChIKey of (4R)-2-amino-4-benzyl-4-(4-bromophenyl)-1H-imidazol-5-one?
The InChIKey is WUKJGYZFDTVELF-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H14BrN3O/c17-13-8-6-12(7-9-13)16(14(21)19-15(18)20-16)10-11-4-2-1-3-5-11/h1-9H,10H2,(H3,18,19,20,21)/t16-/m1/s1.
What are the key properties of (4R)-2-amino-4-benzyl-4-(4-bromophenyl)-1H-imidazol-5-one?
(4R)-2-amino-4-benzyl-4-(4-bromophenyl)-1H-imidazol-5-one has a molecular weight of 344.21 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-amino-4-benzyl-4-(4-bromophenyl)-1H-imidazol-5-one is sourced from PubChem (CID 95655142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).