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

C26H20BrN3O — CID 142636142

IUPAC1-[[3-[(4-bromophenyl)methyl]imidazol-4-yl]methyl]-4-naphthalen-1-ylpyridin-2-one
SMILESO=c1cc(-c2cccc3ccccc23)ccn1Cc1cncn1Cc1ccc(Br)cc1
InChIInChI=1S/C26H20BrN3O/c27-22-10-8-19(9-11-22)16-30-18-28-15-23(30)17-29-13-12-21(14-26(29)31)25-7-3-5-20-4-1-2-6-24(20)25/h1-15,18H,16-17H2
InChIKeyUXNNDVCUCZDPOL-UHFFFAOYSA-N
MW470.37 g/mol
LogP5.72
Rot. Bonds5

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

1-[[3-[(4-bromophenyl)methyl]imidazol-4-yl]methyl]-4-naphthalen-1-ylpyridin-2-one (PubChem CID 142636142) has the molecular formula C26H20BrN3O and a molecular weight of 470.37 g/mol. Its IUPAC name is 1-[[3-[(4-bromophenyl)methyl]imidazol-4-yl]methyl]-4-naphthalen-1-ylpyridin-2-one.

Molecular Properties

Compound Name1-[[3-[(4-bromophenyl)methyl]imidazol-4-yl]methyl]-4-naphthalen-1-ylpyridin-2-one
PubChem CID142636142
Molecular FormulaC26H20BrN3O
Molecular Weight470.37 g/mol
Exact Mass469.08
IUPAC Name1-[[3-[(4-bromophenyl)methyl]imidazol-4-yl]methyl]-4-naphthalen-1-ylpyridin-2-one
SMILESO=c1cc(-c2cccc3ccccc23)ccn1Cc1cncn1Cc1ccc(Br)cc1
InChIInChI=1S/C26H20BrN3O/c27-22-10-8-19(9-11-22)16-30-18-28-15-23(30)17-29-13-12-21(14-26(29)31)25-7-3-5-20-4-1-2-6-24(20)25/h1-15,18H,16-17H2
InChIKeyUXNNDVCUCZDPOL-UHFFFAOYSA-N
XLogP5.72
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.37
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[[3-[(4-bromophenyl)methyl]imidazol-4-yl]methyl]-4-naphthalen-1-ylpyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[3-[(4-bromophenyl)methyl]imidazol-4-yl]methyl]-4-phenylpyridin-2-one
CID 142636155
1-[[3-[(4-bromophenyl)methyl]imidazol-4-yl]methyl]-N-(2-methoxyethyl)-N-methyl-4-naphthalen-1-ylpyrrole-3-carboxamide
CID 18410167
1-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]-4-naphthalen-1-ylpyrrole-3-carbonitrile
CID 23646776
[1-[3-[(4-bromophenyl)methyl]imidazol-4-yl]-4-methyl-3-naphthalen-1-yl-3H-pyrrol-2-ylidene]methanone
CID 174382486
2-(4-bromophenyl)-4,6-bis(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 142724155
[1-[[3-[(4-methylphenyl)methyl]imidazol-4-yl]methyl]-4-naphthalen-1-ylpyrrol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 22891988
1-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]-N-methyl-4-naphthalen-1-yl-N-(3-oxobutyl)pyrrole-3-carboxamide
CID 163573437
4-(2-amino-6-phenylpyrimidin-4-yl)-1-benzylpyridin-2-one
CID 171485671
4-[[5-[(3-ethyl-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)methyl]imidazol-1-yl]methyl]benzonitrile
CID 22466819
1-[(3-butylimidazol-4-yl)methyl]-N-(3-methoxypropyl)-4-naphthalen-1-ylpyrrole-2-carboxamide
CID 139978647
1-benzyl-4-[(3-benzylimidazol-4-yl)methyl]piperazine
CID 154747305
naphthalen-1-yl-[4-[[3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]methyl]piperazin-1-yl]methanone
CID 67612211

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[(4-bromophenyl)methyl]imidazol-4-yl]methyl]-4-naphthalen-1-ylpyridin-2-one?
The IUPAC name of 1-[[3-[(4-bromophenyl)methyl]imidazol-4-yl]methyl]-4-naphthalen-1-ylpyridin-2-one (CID 142636142) is 1-[[3-[(4-bromophenyl)methyl]imidazol-4-yl]methyl]-4-naphthalen-1-ylpyridin-2-one.
What is the SMILES notation for 1-[[3-[(4-bromophenyl)methyl]imidazol-4-yl]methyl]-4-naphthalen-1-ylpyridin-2-one?
The canonical SMILES for 1-[[3-[(4-bromophenyl)methyl]imidazol-4-yl]methyl]-4-naphthalen-1-ylpyridin-2-one is O=c1cc(-c2cccc3ccccc23)ccn1Cc1cncn1Cc1ccc(Br)cc1.
What is the InChIKey of 1-[[3-[(4-bromophenyl)methyl]imidazol-4-yl]methyl]-4-naphthalen-1-ylpyridin-2-one?
The InChIKey is UXNNDVCUCZDPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20BrN3O/c27-22-10-8-19(9-11-22)16-30-18-28-15-23(30)17-29-13-12-21(14-26(29)31)25-7-3-5-20-4-1-2-6-24(20)25/h1-15,18H,16-17H2.
What are the key properties of 1-[[3-[(4-bromophenyl)methyl]imidazol-4-yl]methyl]-4-naphthalen-1-ylpyridin-2-one?
1-[[3-[(4-bromophenyl)methyl]imidazol-4-yl]methyl]-4-naphthalen-1-ylpyridin-2-one has a molecular weight of 470.37 g/mol, XLogP of 5.72, 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-naphthalen-1-ylpyridin-2-one is sourced from PubChem (CID 142636142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).