5-amino-3-benzyl-4-(2-bromophenyl)-4H-imidazol-2-one

C16H14BrN3O — CID 79973555

IUPAC5-amino-3-benzyl-4-(2-bromophenyl)-4H-imidazol-2-one
SMILESNC1=NC(=O)N(Cc2ccccc2)C1c1ccccc1Br
InChIInChI=1S/C16H14BrN3O/c17-13-9-5-4-8-12(13)14-15(18)19-16(21)20(14)10-11-6-2-1-3-7-11/h1-9,14H,10H2,(H2,18,19,21)
InChIKeyXFSYGGJVTNRQML-UHFFFAOYSA-N
MW344.21 g/mol
LogP3.48
Rot. Bonds3

About 5-amino-3-benzyl-4-(2-bromophenyl)-4H-imidazol-2-one

5-amino-3-benzyl-4-(2-bromophenyl)-4H-imidazol-2-one (PubChem CID 79973555) has the molecular formula C16H14BrN3O and a molecular weight of 344.21 g/mol. Its IUPAC name is 5-amino-3-benzyl-4-(2-bromophenyl)-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-3-benzyl-4-(2-bromophenyl)-4H-imidazol-2-one
PubChem CID79973555
Molecular FormulaC16H14BrN3O
Molecular Weight344.21 g/mol
Exact Mass343.03
IUPAC Name5-amino-3-benzyl-4-(2-bromophenyl)-4H-imidazol-2-one
SMILESNC1=NC(=O)N(Cc2ccccc2)C1c1ccccc1Br
InChIInChI=1S/C16H14BrN3O/c17-13-9-5-4-8-12(13)14-15(18)19-16(21)20(14)10-11-6-2-1-3-7-11/h1-9,14H,10H2,(H2,18,19,21)
InChIKeyXFSYGGJVTNRQML-UHFFFAOYSA-N
XLogP3.48
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-benzyl-4-(2-bromophenyl)-4H-imidazol-2-one?
The IUPAC name of 5-amino-3-benzyl-4-(2-bromophenyl)-4H-imidazol-2-one (CID 79973555) is 5-amino-3-benzyl-4-(2-bromophenyl)-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-3-benzyl-4-(2-bromophenyl)-4H-imidazol-2-one?
The canonical SMILES for 5-amino-3-benzyl-4-(2-bromophenyl)-4H-imidazol-2-one is NC1=NC(=O)N(Cc2ccccc2)C1c1ccccc1Br.
What is the InChIKey of 5-amino-3-benzyl-4-(2-bromophenyl)-4H-imidazol-2-one?
The InChIKey is XFSYGGJVTNRQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O/c17-13-9-5-4-8-12(13)14-15(18)19-16(21)20(14)10-11-6-2-1-3-7-11/h1-9,14H,10H2,(H2,18,19,21).
What are the key properties of 5-amino-3-benzyl-4-(2-bromophenyl)-4H-imidazol-2-one?
5-amino-3-benzyl-4-(2-bromophenyl)-4H-imidazol-2-one has a molecular weight of 344.21 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-benzyl-4-(2-bromophenyl)-4H-imidazol-2-one is sourced from PubChem (CID 79973555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).