4-[(4-bromophenyl)methyl]-2,4-diphenyl-1H-imidazol-5-one

C22H17BrN2O — CID 71698061

IUPAC4-[(4-bromophenyl)methyl]-2,4-diphenyl-1H-imidazol-5-one
SMILESO=C1NC(c2ccccc2)=NC1(Cc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C22H17BrN2O/c23-19-13-11-16(12-14-19)15-22(18-9-5-2-6-10-18)21(26)24-20(25-22)17-7-3-1-4-8-17/h1-14H,15H2,(H,24,25,26)
InChIKeyHYSKPVPYJOIKMK-UHFFFAOYSA-N
MW405.30 g/mol
LogP4.46
Rot. Bonds4

About 4-[(4-bromophenyl)methyl]-2,4-diphenyl-1H-imidazol-5-one

4-[(4-bromophenyl)methyl]-2,4-diphenyl-1H-imidazol-5-one (PubChem CID 71698061) has the molecular formula C22H17BrN2O and a molecular weight of 405.30 g/mol. Its IUPAC name is 4-[(4-bromophenyl)methyl]-2,4-diphenyl-1H-imidazol-5-one.

Molecular Properties

Compound Name4-[(4-bromophenyl)methyl]-2,4-diphenyl-1H-imidazol-5-one
PubChem CID71698061
Molecular FormulaC22H17BrN2O
Molecular Weight405.30 g/mol
Exact Mass404.05
IUPAC Name4-[(4-bromophenyl)methyl]-2,4-diphenyl-1H-imidazol-5-one
SMILESO=C1NC(c2ccccc2)=NC1(Cc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C22H17BrN2O/c23-19-13-11-16(12-14-19)15-22(18-9-5-2-6-10-18)21(26)24-20(25-22)17-7-3-1-4-8-17/h1-14H,15H2,(H,24,25,26)
InChIKeyHYSKPVPYJOIKMK-UHFFFAOYSA-N
XLogP4.46
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.30
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromophenyl)methyl]-2,4-diphenyl-1H-imidazol-5-one?
The IUPAC name of 4-[(4-bromophenyl)methyl]-2,4-diphenyl-1H-imidazol-5-one (CID 71698061) is 4-[(4-bromophenyl)methyl]-2,4-diphenyl-1H-imidazol-5-one.
What is the SMILES notation for 4-[(4-bromophenyl)methyl]-2,4-diphenyl-1H-imidazol-5-one?
The canonical SMILES for 4-[(4-bromophenyl)methyl]-2,4-diphenyl-1H-imidazol-5-one is O=C1NC(c2ccccc2)=NC1(Cc1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of 4-[(4-bromophenyl)methyl]-2,4-diphenyl-1H-imidazol-5-one?
The InChIKey is HYSKPVPYJOIKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BrN2O/c23-19-13-11-16(12-14-19)15-22(18-9-5-2-6-10-18)21(26)24-20(25-22)17-7-3-1-4-8-17/h1-14H,15H2,(H,24,25,26).
What are the key properties of 4-[(4-bromophenyl)methyl]-2,4-diphenyl-1H-imidazol-5-one?
4-[(4-bromophenyl)methyl]-2,4-diphenyl-1H-imidazol-5-one has a molecular weight of 405.30 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromophenyl)methyl]-2,4-diphenyl-1H-imidazol-5-one is sourced from PubChem (CID 71698061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).