N-[4-(1H-imidazol-5-yl)phenyl]-2-iodobenzamide

C16H12IN3O — CID 60666058

IUPACN-[4-(1H-imidazol-5-yl)phenyl]-2-iodobenzamide
SMILESO=C(Nc1ccc(-c2cnc[nH]2)cc1)c1ccccc1I
InChIInChI=1S/C16H12IN3O/c17-14-4-2-1-3-13(14)16(21)20-12-7-5-11(6-8-12)15-9-18-10-19-15/h1-10H,(H,18,19)(H,20,21)
InChIKeyFBTBHVMEXAQUDT-UHFFFAOYSA-N
MW389.20 g/mol
LogP3.93
Rot. Bonds3

About N-[4-(1H-imidazol-5-yl)phenyl]-2-iodobenzamide

N-[4-(1H-imidazol-5-yl)phenyl]-2-iodobenzamide (PubChem CID 60666058) has the molecular formula C16H12IN3O and a molecular weight of 389.20 g/mol. Its IUPAC name is N-[4-(1H-imidazol-5-yl)phenyl]-2-iodobenzamide.

Molecular Properties

Compound NameN-[4-(1H-imidazol-5-yl)phenyl]-2-iodobenzamide
PubChem CID60666058
Molecular FormulaC16H12IN3O
Molecular Weight389.20 g/mol
Exact Mass389.00
IUPAC NameN-[4-(1H-imidazol-5-yl)phenyl]-2-iodobenzamide
SMILESO=C(Nc1ccc(-c2cnc[nH]2)cc1)c1ccccc1I
InChIInChI=1S/C16H12IN3O/c17-14-4-2-1-3-13(14)16(21)20-12-7-5-11(6-8-12)15-9-18-10-19-15/h1-10H,(H,18,19)(H,20,21)
InChIKeyFBTBHVMEXAQUDT-UHFFFAOYSA-N
XLogP3.93
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.20
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-iodo-N-(4-iodophenyl)benzamide
CID 3118704
6-chloro-N-[4-(1H-imidazol-5-yl)phenyl]pyridine-2-carboxamide
CID 62232925
3-formyl-N-[4-(1H-imidazol-5-yl)phenyl]benzamide
CID 90105435
3-bromo-N-[4-(1H-imidazol-5-yl)phenyl]pyridine-2-carboxamide
CID 107518337
2,2,2-trifluoro-N-[4-(1H-imidazol-5-yl)phenyl]acetamide
CID 62733559
N-[4-(carbamoylamino)phenyl]-2-iodobenzamide
CID 33152104
N-(4-anilinophenyl)-2-[(2-iodobenzoyl)amino]benzamide
CID 4941925
N-[4-(1H-imidazol-5-yl)phenyl]-3-methylbut-2-enamide
CID 47143697
N-[4-(1H-imidazol-5-yl)phenyl]but-2-enamide
CID 78997234
N-[3-(1H-imidazol-5-yl)phenyl]-1H-indole-7-carboxamide
CID 131921284
N-[4-(1H-imidazol-5-yl)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60666303
N-(4-benzoylphenyl)-2-iodobenzamide
CID 1010139

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-imidazol-5-yl)phenyl]-2-iodobenzamide?
The IUPAC name of N-[4-(1H-imidazol-5-yl)phenyl]-2-iodobenzamide (CID 60666058) is N-[4-(1H-imidazol-5-yl)phenyl]-2-iodobenzamide.
What is the SMILES notation for N-[4-(1H-imidazol-5-yl)phenyl]-2-iodobenzamide?
The canonical SMILES for N-[4-(1H-imidazol-5-yl)phenyl]-2-iodobenzamide is O=C(Nc1ccc(-c2cnc[nH]2)cc1)c1ccccc1I.
What is the InChIKey of N-[4-(1H-imidazol-5-yl)phenyl]-2-iodobenzamide?
The InChIKey is FBTBHVMEXAQUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12IN3O/c17-14-4-2-1-3-13(14)16(21)20-12-7-5-11(6-8-12)15-9-18-10-19-15/h1-10H,(H,18,19)(H,20,21).
What are the key properties of N-[4-(1H-imidazol-5-yl)phenyl]-2-iodobenzamide?
N-[4-(1H-imidazol-5-yl)phenyl]-2-iodobenzamide has a molecular weight of 389.20 g/mol, XLogP of 3.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-imidazol-5-yl)phenyl]-2-iodobenzamide is sourced from PubChem (CID 60666058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).