N-[4-(4-cyanophenoxy)-1-imidazol-1-ylbutan-2-yl]-4-iodobenzamide

C21H19IN4O2 — CID 10163183

IUPACN-[4-(4-cyanophenoxy)-1-imidazol-1-ylbutan-2-yl]-4-iodobenzamide
SMILESN#Cc1ccc(OCCC(Cn2ccnc2)NC(=O)c2ccc(I)cc2)cc1
InChIInChI=1S/C21H19IN4O2/c22-18-5-3-17(4-6-18)21(27)25-19(14-26-11-10-24-15-26)9-12-28-20-7-1-16(13-23)2-8-20/h1-8,10-11,15,19H,9,12,14H2,(H,25,27)
InChIKeyYAXDVWGXIHCDNI-UHFFFAOYSA-N
MW486.31 g/mol
LogP3.63
Rot. Bonds8

About N-[4-(4-cyanophenoxy)-1-imidazol-1-ylbutan-2-yl]-4-iodobenzamide

N-[4-(4-cyanophenoxy)-1-imidazol-1-ylbutan-2-yl]-4-iodobenzamide (PubChem CID 10163183) has the molecular formula C21H19IN4O2 and a molecular weight of 486.31 g/mol. Its IUPAC name is N-[4-(4-cyanophenoxy)-1-imidazol-1-ylbutan-2-yl]-4-iodobenzamide.

Molecular Properties

Compound NameN-[4-(4-cyanophenoxy)-1-imidazol-1-ylbutan-2-yl]-4-iodobenzamide
PubChem CID10163183
Molecular FormulaC21H19IN4O2
Molecular Weight486.31 g/mol
Exact Mass486.06
IUPAC NameN-[4-(4-cyanophenoxy)-1-imidazol-1-ylbutan-2-yl]-4-iodobenzamide
SMILESN#Cc1ccc(OCCC(Cn2ccnc2)NC(=O)c2ccc(I)cc2)cc1
InChIInChI=1S/C21H19IN4O2/c22-18-5-3-17(4-6-18)21(27)25-19(14-26-11-10-24-15-26)9-12-28-20-7-1-16(13-23)2-8-20/h1-8,10-11,15,19H,9,12,14H2,(H,25,27)
InChIKeyYAXDVWGXIHCDNI-UHFFFAOYSA-N
XLogP3.63
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.31
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(1-imidazol-1-yl-3-phenoxypropan-2-yl)-4-iodobenzamide
CID 10225638
[1-(4-cyanophenoxy)-3-imidazol-1-ylpropan-2-yl] 4-iodobenzoate
CID 10183864
N-[(2S)-1-imidazol-1-ylbutan-2-yl]-2-(4-propanoylphenoxy)acetamide
CID 94610417
N-[(2S)-1-imidazol-1-yl-4-methylpentan-2-yl]-4-phenylbenzamide
CID 155511960
4-[[4-(8-imidazol-1-yloctoxy)phenyl]diazenyl]benzonitrile
CID 101189546
N-[1-[(5-cyano-2-pyridinyl)oxy]-3-(1H-imidazol-2-yl)propan-2-yl]-4-iodobenzamide
CID 67228272
methyl (3S)-3-[(4-cyanobenzoyl)amino]-4-iodobutanoate
CID 25140798
N-[(2R)-1-(4-fluorophenoxy)-3-(1,2,4-triazol-1-yl)propan-2-yl]-4-iodobenzamide
CID 53241559
4-butoxy-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
CID 35859104
methyl 4-(2-hydroxy-3-imidazol-1-ylpropoxy)benzoate
CID 47130684
4-[2-(4-iodophenoxy)ethoxy]benzohydrazide
CID 63576077
4-(imidazol-1-ylmethyl)-N-propan-2-ylbenzamide
CID 43918416

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyanophenoxy)-1-imidazol-1-ylbutan-2-yl]-4-iodobenzamide?
The IUPAC name of N-[4-(4-cyanophenoxy)-1-imidazol-1-ylbutan-2-yl]-4-iodobenzamide (CID 10163183) is N-[4-(4-cyanophenoxy)-1-imidazol-1-ylbutan-2-yl]-4-iodobenzamide.
What is the SMILES notation for N-[4-(4-cyanophenoxy)-1-imidazol-1-ylbutan-2-yl]-4-iodobenzamide?
The canonical SMILES for N-[4-(4-cyanophenoxy)-1-imidazol-1-ylbutan-2-yl]-4-iodobenzamide is N#Cc1ccc(OCCC(Cn2ccnc2)NC(=O)c2ccc(I)cc2)cc1.
What is the InChIKey of N-[4-(4-cyanophenoxy)-1-imidazol-1-ylbutan-2-yl]-4-iodobenzamide?
The InChIKey is YAXDVWGXIHCDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19IN4O2/c22-18-5-3-17(4-6-18)21(27)25-19(14-26-11-10-24-15-26)9-12-28-20-7-1-16(13-23)2-8-20/h1-8,10-11,15,19H,9,12,14H2,(H,25,27).
What are the key properties of N-[4-(4-cyanophenoxy)-1-imidazol-1-ylbutan-2-yl]-4-iodobenzamide?
N-[4-(4-cyanophenoxy)-1-imidazol-1-ylbutan-2-yl]-4-iodobenzamide has a molecular weight of 486.31 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-cyanophenoxy)-1-imidazol-1-ylbutan-2-yl]-4-iodobenzamide is sourced from PubChem (CID 10163183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).