N-[4-[[4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]benzamide

C26H21N5O2 — CID 50769149

IUPACN-[4-[[4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]benzamide
SMILESCc1ccccc1-c1noc(-c2cn(Cc3ccc(NC(=O)c4ccccc4)cc3)cn2)n1
InChIInChI=1S/C26H21N5O2/c1-18-7-5-6-10-22(18)24-29-26(33-30-24)23-16-31(17-27-23)15-19-11-13-21(14-12-19)28-25(32)20-8-3-2-4-9-20/h2-14,16-17H,15H2,1H3,(H,28,32)
InChIKeyMRBRNTRXZNOHNB-UHFFFAOYSA-N
MW435.49 g/mol
LogP5.21
Rot. Bonds6

About N-[4-[[4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]benzamide

N-[4-[[4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]benzamide (PubChem CID 50769149) has the molecular formula C26H21N5O2 and a molecular weight of 435.49 g/mol. Its IUPAC name is N-[4-[[4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[[4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]benzamide
PubChem CID50769149
Molecular FormulaC26H21N5O2
Molecular Weight435.49 g/mol
Exact Mass435.17
IUPAC NameN-[4-[[4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]benzamide
SMILESCc1ccccc1-c1noc(-c2cn(Cc3ccc(NC(=O)c4ccccc4)cc3)cn2)n1
InChIInChI=1S/C26H21N5O2/c1-18-7-5-6-10-22(18)24-29-26(33-30-24)23-16-31(17-27-23)15-19-11-13-21(14-12-19)28-25(32)20-8-3-2-4-9-20/h2-14,16-17H,15H2,1H3,(H,28,32)
InChIKeyMRBRNTRXZNOHNB-UHFFFAOYSA-N
XLogP5.21
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.49
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-bromo-N-[4-[[4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]benzamide
CID 46295602
3,5-dimethoxy-N-[4-[[4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]benzamide
CID 50769190
N-[4-[[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]benzamide
CID 50769142
1-[4-[[4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]-3-(2-methylphenyl)urea
CID 53058540
N-[4-[[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]-2-phenylacetamide
CID 46295561
1-(5-chloro-2-methylphenyl)-3-[4-[[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]urea
CID 53058506
1-[4-[[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]-3-(3-fluoro-4-methylphenyl)urea
CID 53058558
1-[4-[[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 53058474
1-(3-chlorophenyl)-3-[4-[[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]urea
CID 53058493
1-[4-[[4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]-3-(3-methylsulfanylphenyl)urea
CID 53058566
N-(3-bromophenyl)-2-[4-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]acetamide
CID 53178172
4-methyl-N-[4-[[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]benzenesulfonamide
CID 46295667

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]benzamide?
The IUPAC name of N-[4-[[4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]benzamide (CID 50769149) is N-[4-[[4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]benzamide.
What is the SMILES notation for N-[4-[[4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]benzamide?
The canonical SMILES for N-[4-[[4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]benzamide is Cc1ccccc1-c1noc(-c2cn(Cc3ccc(NC(=O)c4ccccc4)cc3)cn2)n1.
What is the InChIKey of N-[4-[[4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]benzamide?
The InChIKey is MRBRNTRXZNOHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O2/c1-18-7-5-6-10-22(18)24-29-26(33-30-24)23-16-31(17-27-23)15-19-11-13-21(14-12-19)28-25(32)20-8-3-2-4-9-20/h2-14,16-17H,15H2,1H3,(H,28,32).
What are the key properties of N-[4-[[4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]benzamide?
N-[4-[[4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]benzamide has a molecular weight of 435.49 g/mol, XLogP of 5.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]benzamide is sourced from PubChem (CID 50769149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).