3-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)-4-iodobenzamide

C13H14IN3O2 — CID 104627718

IUPAC3-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)-4-iodobenzamide
SMILESCC(Cn1ccnc1)NC(=O)c1ccc(I)c(O)c1
InChIInChI=1S/C13H14IN3O2/c1-9(7-17-5-4-15-8-17)16-13(19)10-2-3-11(14)12(18)6-10/h2-6,8-9,18H,7H2,1H3,(H,16,19)
InChIKeyPFXIJCKZMYXOQU-UHFFFAOYSA-N
MW371.18 g/mol
LogP2.01
Rot. Bonds4

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

3-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)-4-iodobenzamide (PubChem CID 104627718) has the molecular formula C13H14IN3O2 and a molecular weight of 371.18 g/mol. Its IUPAC name is 3-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)-4-iodobenzamide.

Molecular Properties

Compound Name3-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)-4-iodobenzamide
PubChem CID104627718
Molecular FormulaC13H14IN3O2
Molecular Weight371.18 g/mol
Exact Mass371.01
IUPAC Name3-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)-4-iodobenzamide
SMILESCC(Cn1ccnc1)NC(=O)c1ccc(I)c(O)c1
InChIInChI=1S/C13H14IN3O2/c1-9(7-17-5-4-15-8-17)16-13(19)10-2-3-11(14)12(18)6-10/h2-6,8-9,18H,7H2,1H3,(H,16,19)
InChIKeyPFXIJCKZMYXOQU-UHFFFAOYSA-N
XLogP2.01
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.18
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)benzamide
CID 54958933
3-amino-4-chloro-N-(1-imidazol-1-ylpropan-2-yl)benzamide
CID 43695461
4-fluoro-N-(1-imidazol-1-ylpropan-2-yl)-3-sulfanylbenzamide
CID 107025352
N-(1-imidazol-1-ylpropan-2-yl)-3-methyl-4-(methylamino)benzamide
CID 63213990
3-amino-4-fluoro-N-(1-imidazol-1-ylpropan-2-yl)benzamide
CID 61479380
4-benzamido-N-[(2R)-1-imidazol-1-ylpropan-2-yl]benzamide
CID 94159344
3-amino-N-(1-imidazol-1-ylpropan-2-yl)-4-nitrobenzamide
CID 62682502
3-hydroxy-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 95159872
N-(1-imidazol-1-ylpropan-2-yl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 51087077
3-hydroxy-4-iodo-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 104627716
3-hydroxy-4-iodo-N-pent-4-en-2-ylbenzamide
CID 104628600
3-bromo-N-(1-imidazol-1-ylpropan-2-yl)pyridine-2-carboxamide
CID 107518195

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)-4-iodobenzamide?
The IUPAC name of 3-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)-4-iodobenzamide (CID 104627718) is 3-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)-4-iodobenzamide.
What is the SMILES notation for 3-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)-4-iodobenzamide?
The canonical SMILES for 3-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)-4-iodobenzamide is CC(Cn1ccnc1)NC(=O)c1ccc(I)c(O)c1.
What is the InChIKey of 3-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)-4-iodobenzamide?
The InChIKey is PFXIJCKZMYXOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14IN3O2/c1-9(7-17-5-4-15-8-17)16-13(19)10-2-3-11(14)12(18)6-10/h2-6,8-9,18H,7H2,1H3,(H,16,19).
What are the key properties of 3-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)-4-iodobenzamide?
3-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)-4-iodobenzamide has a molecular weight of 371.18 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)-4-iodobenzamide is sourced from PubChem (CID 104627718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).