2-hydroxy-N-(1H-imidazol-2-yl)-3,5-diiodobenzamide

C10H7I2N3O2 — CID 60966948

IUPAC2-hydroxy-N-(1H-imidazol-2-yl)-3,5-diiodobenzamide
SMILESO=C(Nc1ncc[nH]1)c1cc(I)cc(I)c1O
InChIInChI=1S/C10H7I2N3O2/c11-5-3-6(8(16)7(12)4-5)9(17)15-10-13-1-2-14-10/h1-4,16H,(H2,13,14,15,17)
InChIKeyPEYCFDLQWQOILP-UHFFFAOYSA-N
MW454.99 g/mol
LogP2.58
Rot. Bonds2

About 2-hydroxy-N-(1H-imidazol-2-yl)-3,5-diiodobenzamide

2-hydroxy-N-(1H-imidazol-2-yl)-3,5-diiodobenzamide (PubChem CID 60966948) has the molecular formula C10H7I2N3O2 and a molecular weight of 454.99 g/mol. Its IUPAC name is 2-hydroxy-N-(1H-imidazol-2-yl)-3,5-diiodobenzamide.

Molecular Properties

Compound Name2-hydroxy-N-(1H-imidazol-2-yl)-3,5-diiodobenzamide
PubChem CID60966948
Molecular FormulaC10H7I2N3O2
Molecular Weight454.99 g/mol
Exact Mass454.86
IUPAC Name2-hydroxy-N-(1H-imidazol-2-yl)-3,5-diiodobenzamide
SMILESO=C(Nc1ncc[nH]1)c1cc(I)cc(I)c1O
InChIInChI=1S/C10H7I2N3O2/c11-5-3-6(8(16)7(12)4-5)9(17)15-10-13-1-2-14-10/h1-4,16H,(H2,13,14,15,17)
InChIKeyPEYCFDLQWQOILP-UHFFFAOYSA-N
XLogP2.58
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.99
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N-(1H-imidazol-2-yl)-3-methylbenzamide
CID 60968361
N-(1H-imidazol-2-yl)-2-methylbenzamide
CID 60968635
2,4-dichloro-N-(1H-imidazol-2-yl)benzamide
CID 55027572
N-(1H-imidazol-2-yl)-2-(methylamino)benzamide
CID 63563761
3,5-dibromo-N-(1H-imidazol-2-yl)benzamide
CID 103910174
2-amino-N-(1H-imidazol-2-yl)-5-methylbenzamide
CID 63563942
N-(1H-imidazol-2-yl)-2,3,4,5,6-pentamethylbenzamide
CID 55212567
2-hydroxy-3,5-diiodo-N-methoxybenzamide
CID 60717158
3-amino-N-(1H-imidazol-2-yl)-1H-pyrazole-5-carboxamide
CID 64525652
2-hydroxy-3,5-diiodo-N-(4-phenylphenyl)benzamide
CID 90645537
N-(5-chloro-2-fluorophenyl)-2-hydroxy-3,5-diiodobenzamide
CID 11998244
2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-2-yl)benzamide
CID 63562624

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(1H-imidazol-2-yl)-3,5-diiodobenzamide?
The IUPAC name of 2-hydroxy-N-(1H-imidazol-2-yl)-3,5-diiodobenzamide (CID 60966948) is 2-hydroxy-N-(1H-imidazol-2-yl)-3,5-diiodobenzamide.
What is the SMILES notation for 2-hydroxy-N-(1H-imidazol-2-yl)-3,5-diiodobenzamide?
The canonical SMILES for 2-hydroxy-N-(1H-imidazol-2-yl)-3,5-diiodobenzamide is O=C(Nc1ncc[nH]1)c1cc(I)cc(I)c1O.
What is the InChIKey of 2-hydroxy-N-(1H-imidazol-2-yl)-3,5-diiodobenzamide?
The InChIKey is PEYCFDLQWQOILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7I2N3O2/c11-5-3-6(8(16)7(12)4-5)9(17)15-10-13-1-2-14-10/h1-4,16H,(H2,13,14,15,17).
What are the key properties of 2-hydroxy-N-(1H-imidazol-2-yl)-3,5-diiodobenzamide?
2-hydroxy-N-(1H-imidazol-2-yl)-3,5-diiodobenzamide has a molecular weight of 454.99 g/mol, XLogP of 2.58, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(1H-imidazol-2-yl)-3,5-diiodobenzamide is sourced from PubChem (CID 60966948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).