5-(4-bromophenyl)-3-(4-methoxyphenyl)-1H-imidazol-2-one

C16H13BrN2O2 — CID 4082253

IUPAC5-(4-bromophenyl)-3-(4-methoxyphenyl)-1H-imidazol-2-one
SMILESCOc1ccc(-n2cc(-c3ccc(Br)cc3)[nH]c2=O)cc1
InChIInChI=1S/C16H13BrN2O2/c1-21-14-8-6-13(7-9-14)19-10-15(18-16(19)20)11-2-4-12(17)5-3-11/h2-10H,1H3,(H,18,20)
InChIKeyBZZHEVBYQRARMU-UHFFFAOYSA-N
MW345.20 g/mol
LogP3.60
Rot. Bonds3

About 5-(4-bromophenyl)-3-(4-methoxyphenyl)-1H-imidazol-2-one

5-(4-bromophenyl)-3-(4-methoxyphenyl)-1H-imidazol-2-one (PubChem CID 4082253) has the molecular formula C16H13BrN2O2 and a molecular weight of 345.20 g/mol. Its IUPAC name is 5-(4-bromophenyl)-3-(4-methoxyphenyl)-1H-imidazol-2-one.

Molecular Properties

Compound Name5-(4-bromophenyl)-3-(4-methoxyphenyl)-1H-imidazol-2-one
PubChem CID4082253
Molecular FormulaC16H13BrN2O2
Molecular Weight345.20 g/mol
Exact Mass344.02
IUPAC Name5-(4-bromophenyl)-3-(4-methoxyphenyl)-1H-imidazol-2-one
SMILESCOc1ccc(-n2cc(-c3ccc(Br)cc3)[nH]c2=O)cc1
InChIInChI=1S/C16H13BrN2O2/c1-21-14-8-6-13(7-9-14)19-10-15(18-16(19)20)11-2-4-12(17)5-3-11/h2-10H,1H3,(H,18,20)
InChIKeyBZZHEVBYQRARMU-UHFFFAOYSA-N
XLogP3.60
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-3-(4-methoxyphenyl)-1H-imidazol-2-one?
The IUPAC name of 5-(4-bromophenyl)-3-(4-methoxyphenyl)-1H-imidazol-2-one (CID 4082253) is 5-(4-bromophenyl)-3-(4-methoxyphenyl)-1H-imidazol-2-one.
What is the SMILES notation for 5-(4-bromophenyl)-3-(4-methoxyphenyl)-1H-imidazol-2-one?
The canonical SMILES for 5-(4-bromophenyl)-3-(4-methoxyphenyl)-1H-imidazol-2-one is COc1ccc(-n2cc(-c3ccc(Br)cc3)[nH]c2=O)cc1.
What is the InChIKey of 5-(4-bromophenyl)-3-(4-methoxyphenyl)-1H-imidazol-2-one?
The InChIKey is BZZHEVBYQRARMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O2/c1-21-14-8-6-13(7-9-14)19-10-15(18-16(19)20)11-2-4-12(17)5-3-11/h2-10H,1H3,(H,18,20).
What are the key properties of 5-(4-bromophenyl)-3-(4-methoxyphenyl)-1H-imidazol-2-one?
5-(4-bromophenyl)-3-(4-methoxyphenyl)-1H-imidazol-2-one has a molecular weight of 345.20 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-3-(4-methoxyphenyl)-1H-imidazol-2-one is sourced from PubChem (CID 4082253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).