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

C15H10BrClN2O — CID 22427801

IUPAC5-(4-bromophenyl)-3-(3-chlorophenyl)-1H-imidazol-2-one
SMILESO=c1[nH]c(-c2ccc(Br)cc2)cn1-c1cccc(Cl)c1
InChIInChI=1S/C15H10BrClN2O/c16-11-6-4-10(5-7-11)14-9-19(15(20)18-14)13-3-1-2-12(17)8-13/h1-9H,(H,18,20)
InChIKeyNPQUVRDKZONYFM-UHFFFAOYSA-N
MW349.62 g/mol
LogP4.25
Rot. Bonds2

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

5-(4-bromophenyl)-3-(3-chlorophenyl)-1H-imidazol-2-one (PubChem CID 22427801) has the molecular formula C15H10BrClN2O and a molecular weight of 349.62 g/mol. Its IUPAC name is 5-(4-bromophenyl)-3-(3-chlorophenyl)-1H-imidazol-2-one.

Molecular Properties

Compound Name5-(4-bromophenyl)-3-(3-chlorophenyl)-1H-imidazol-2-one
PubChem CID22427801
Molecular FormulaC15H10BrClN2O
Molecular Weight349.62 g/mol
Exact Mass347.97
IUPAC Name5-(4-bromophenyl)-3-(3-chlorophenyl)-1H-imidazol-2-one
SMILESO=c1[nH]c(-c2ccc(Br)cc2)cn1-c1cccc(Cl)c1
InChIInChI=1S/C15H10BrClN2O/c16-11-6-4-10(5-7-11)14-9-19(15(20)18-14)13-3-1-2-12(17)8-13/h1-9H,(H,18,20)
InChIKeyNPQUVRDKZONYFM-UHFFFAOYSA-N
XLogP4.25
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.62
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-3-(3-chlorophenyl)-1H-imidazol-2-one?
The IUPAC name of 5-(4-bromophenyl)-3-(3-chlorophenyl)-1H-imidazol-2-one (CID 22427801) is 5-(4-bromophenyl)-3-(3-chlorophenyl)-1H-imidazol-2-one.
What is the SMILES notation for 5-(4-bromophenyl)-3-(3-chlorophenyl)-1H-imidazol-2-one?
The canonical SMILES for 5-(4-bromophenyl)-3-(3-chlorophenyl)-1H-imidazol-2-one is O=c1[nH]c(-c2ccc(Br)cc2)cn1-c1cccc(Cl)c1.
What is the InChIKey of 5-(4-bromophenyl)-3-(3-chlorophenyl)-1H-imidazol-2-one?
The InChIKey is NPQUVRDKZONYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClN2O/c16-11-6-4-10(5-7-11)14-9-19(15(20)18-14)13-3-1-2-12(17)8-13/h1-9H,(H,18,20).
What are the key properties of 5-(4-bromophenyl)-3-(3-chlorophenyl)-1H-imidazol-2-one?
5-(4-bromophenyl)-3-(3-chlorophenyl)-1H-imidazol-2-one has a molecular weight of 349.62 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-3-(3-chlorophenyl)-1H-imidazol-2-one is sourced from PubChem (CID 22427801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).