1-[[3-[(4-bromophenyl)methyl]imidazol-4-yl]methyl]-4-phenylpyridin-2-one

C22H18BrN3O — CID 142636155

IUPAC1-[[3-[(4-bromophenyl)methyl]imidazol-4-yl]methyl]-4-phenylpyridin-2-one
SMILESO=c1cc(-c2ccccc2)ccn1Cc1cncn1Cc1ccc(Br)cc1
InChIInChI=1S/C22H18BrN3O/c23-20-8-6-17(7-9-20)14-26-16-24-13-21(26)15-25-11-10-19(12-22(25)27)18-4-2-1-3-5-18/h1-13,16H,14-15H2
InChIKeyVMIBJCXMYBCYOQ-UHFFFAOYSA-N
MW420.31 g/mol
LogP4.57
Rot. Bonds5

About 1-[[3-[(4-bromophenyl)methyl]imidazol-4-yl]methyl]-4-phenylpyridin-2-one

1-[[3-[(4-bromophenyl)methyl]imidazol-4-yl]methyl]-4-phenylpyridin-2-one (PubChem CID 142636155) has the molecular formula C22H18BrN3O and a molecular weight of 420.31 g/mol. Its IUPAC name is 1-[[3-[(4-bromophenyl)methyl]imidazol-4-yl]methyl]-4-phenylpyridin-2-one.

Molecular Properties

Compound Name1-[[3-[(4-bromophenyl)methyl]imidazol-4-yl]methyl]-4-phenylpyridin-2-one
PubChem CID142636155
Molecular FormulaC22H18BrN3O
Molecular Weight420.31 g/mol
Exact Mass419.06
IUPAC Name1-[[3-[(4-bromophenyl)methyl]imidazol-4-yl]methyl]-4-phenylpyridin-2-one
SMILESO=c1cc(-c2ccccc2)ccn1Cc1cncn1Cc1ccc(Br)cc1
InChIInChI=1S/C22H18BrN3O/c23-20-8-6-17(7-9-20)14-26-16-24-13-21(26)15-25-11-10-19(12-22(25)27)18-4-2-1-3-5-18/h1-13,16H,14-15H2
InChIKeyVMIBJCXMYBCYOQ-UHFFFAOYSA-N
XLogP4.57
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.31
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[3-[(4-bromophenyl)methyl]imidazol-4-yl]methyl]-4-naphthalen-1-ylpyridin-2-one
CID 142636142
4-(2-amino-6-phenylpyrimidin-4-yl)-1-benzylpyridin-2-one
CID 171485671
5-[(4-isocyanophenyl)methyl]-1-[(4-phenylphenyl)methyl]imidazole
CID 54110123
1-benzyl-4-[(3-benzylimidazol-4-yl)methyl]piperazine
CID 154747305
2-(3-benzylimidazol-4-yl)ethanamine
CID 19417806
5-bromo-1-[(3-propylimidazol-4-yl)methyl]pyridin-2-one
CID 66309753
1,3-bis[(4-bromophenyl)methyl]pyrimidine-2,4-dione
CID 10765948
1-benzyl-5-butylimidazole
CID 10059100
1-[3-[(4-bromophenyl)methyl]imidazol-4-yl]propan-1-ol
CID 22466867
1-[(5-bromo-3-pyridinyl)methyl]-4-methylpyridin-2-one
CID 104809227
2-[(4-bromophenyl)methyl]-5-phenyl-4H-pyrazol-3-one
CID 63276721
1-benzyl-5-bromopyridin-2-one
CID 15395936

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[(4-bromophenyl)methyl]imidazol-4-yl]methyl]-4-phenylpyridin-2-one?
The IUPAC name of 1-[[3-[(4-bromophenyl)methyl]imidazol-4-yl]methyl]-4-phenylpyridin-2-one (CID 142636155) is 1-[[3-[(4-bromophenyl)methyl]imidazol-4-yl]methyl]-4-phenylpyridin-2-one.
What is the SMILES notation for 1-[[3-[(4-bromophenyl)methyl]imidazol-4-yl]methyl]-4-phenylpyridin-2-one?
The canonical SMILES for 1-[[3-[(4-bromophenyl)methyl]imidazol-4-yl]methyl]-4-phenylpyridin-2-one is O=c1cc(-c2ccccc2)ccn1Cc1cncn1Cc1ccc(Br)cc1.
What is the InChIKey of 1-[[3-[(4-bromophenyl)methyl]imidazol-4-yl]methyl]-4-phenylpyridin-2-one?
The InChIKey is VMIBJCXMYBCYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrN3O/c23-20-8-6-17(7-9-20)14-26-16-24-13-21(26)15-25-11-10-19(12-22(25)27)18-4-2-1-3-5-18/h1-13,16H,14-15H2.
What are the key properties of 1-[[3-[(4-bromophenyl)methyl]imidazol-4-yl]methyl]-4-phenylpyridin-2-one?
1-[[3-[(4-bromophenyl)methyl]imidazol-4-yl]methyl]-4-phenylpyridin-2-one has a molecular weight of 420.31 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[(4-bromophenyl)methyl]imidazol-4-yl]methyl]-4-phenylpyridin-2-one is sourced from PubChem (CID 142636155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).