N-(1-imidazol-1-yl-3-phenoxypropan-2-yl)-4-iodobenzamide

C19H18IN3O2 — CID 10225638

IUPACN-(1-imidazol-1-yl-3-phenoxypropan-2-yl)-4-iodobenzamide
SMILESO=C(NC(COc1ccccc1)Cn1ccnc1)c1ccc(I)cc1
InChIInChI=1S/C19H18IN3O2/c20-16-8-6-15(7-9-16)19(24)22-17(12-23-11-10-21-14-23)13-25-18-4-2-1-3-5-18/h1-11,14,17H,12-13H2,(H,22,24)
InChIKeyNIVVWANAWIICGU-UHFFFAOYSA-N
MW447.28 g/mol
LogP3.37
Rot. Bonds7

About N-(1-imidazol-1-yl-3-phenoxypropan-2-yl)-4-iodobenzamide

N-(1-imidazol-1-yl-3-phenoxypropan-2-yl)-4-iodobenzamide (PubChem CID 10225638) has the molecular formula C19H18IN3O2 and a molecular weight of 447.28 g/mol. Its IUPAC name is N-(1-imidazol-1-yl-3-phenoxypropan-2-yl)-4-iodobenzamide.

Molecular Properties

Compound NameN-(1-imidazol-1-yl-3-phenoxypropan-2-yl)-4-iodobenzamide
PubChem CID10225638
Molecular FormulaC19H18IN3O2
Molecular Weight447.28 g/mol
Exact Mass447.04
IUPAC NameN-(1-imidazol-1-yl-3-phenoxypropan-2-yl)-4-iodobenzamide
SMILESO=C(NC(COc1ccccc1)Cn1ccnc1)c1ccc(I)cc1
InChIInChI=1S/C19H18IN3O2/c20-16-8-6-15(7-9-16)19(24)22-17(12-23-11-10-21-14-23)13-25-18-4-2-1-3-5-18/h1-11,14,17H,12-13H2,(H,22,24)
InChIKeyNIVVWANAWIICGU-UHFFFAOYSA-N
XLogP3.37
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.28
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-cyanophenoxy)-1-imidazol-1-ylbutan-2-yl]-4-iodobenzamide
CID 10163183
N-[(2S)-1-imidazol-1-yl-4-methylpentan-2-yl]-4-phenylbenzamide
CID 155511960
(1-imidazol-1-yl-3-phenoxypropan-2-yl) benzoate
CID 2827447
N-[(2R)-1-(4-fluorophenoxy)-3-(1,2,4-triazol-1-yl)propan-2-yl]-4-iodobenzamide
CID 53241559
[(2R)-1-imidazol-1-yl-3-phenoxypropan-2-yl] 4-(trifluoromethyl)benzoate
CID 10221967
[1-(4-cyanophenoxy)-3-imidazol-1-ylpropan-2-yl] 4-iodobenzoate
CID 10183864
methyl (2S)-3-imidazol-1-yl-2-[(4-phenylbenzoyl)amino]propanoate
CID 134136445
N-[1-imidazol-1-yl-3-(1H-imidazol-5-yl)propan-2-yl]-4-phenylbenzamide
CID 175034647
4-benzamido-N-[(2R)-1-imidazol-1-ylpropan-2-yl]benzamide
CID 94159344
ethane;N-(2-imidazol-1-yl-1-phenylethyl)-4-phenylbenzamide
CID 161441611
N-(2-imidazol-1-yl-1-phenylethyl)-4-pyridin-4-ylbenzamide
CID 68512339
(1-imidazol-1-yl-3-phenoxypropan-2-yl) 3-methoxybenzoate
CID 85078508

Frequently Asked Questions

What is the IUPAC name of N-(1-imidazol-1-yl-3-phenoxypropan-2-yl)-4-iodobenzamide?
The IUPAC name of N-(1-imidazol-1-yl-3-phenoxypropan-2-yl)-4-iodobenzamide (CID 10225638) is N-(1-imidazol-1-yl-3-phenoxypropan-2-yl)-4-iodobenzamide.
What is the SMILES notation for N-(1-imidazol-1-yl-3-phenoxypropan-2-yl)-4-iodobenzamide?
The canonical SMILES for N-(1-imidazol-1-yl-3-phenoxypropan-2-yl)-4-iodobenzamide is O=C(NC(COc1ccccc1)Cn1ccnc1)c1ccc(I)cc1.
What is the InChIKey of N-(1-imidazol-1-yl-3-phenoxypropan-2-yl)-4-iodobenzamide?
The InChIKey is NIVVWANAWIICGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18IN3O2/c20-16-8-6-15(7-9-16)19(24)22-17(12-23-11-10-21-14-23)13-25-18-4-2-1-3-5-18/h1-11,14,17H,12-13H2,(H,22,24).
What are the key properties of N-(1-imidazol-1-yl-3-phenoxypropan-2-yl)-4-iodobenzamide?
N-(1-imidazol-1-yl-3-phenoxypropan-2-yl)-4-iodobenzamide has a molecular weight of 447.28 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imidazol-1-yl-3-phenoxypropan-2-yl)-4-iodobenzamide is sourced from PubChem (CID 10225638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).