2-iodo-N-[3-(5-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide

C21H16IN3O — CID 23738260

IUPAC2-iodo-N-[3-(5-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
SMILESCc1cccc2nc(-c3cccc(NC(=O)c4ccccc4I)c3)cn12
InChIInChI=1S/C21H16IN3O/c1-14-6-4-11-20-24-19(13-25(14)20)15-7-5-8-16(12-15)23-21(26)17-9-2-3-10-18(17)22/h2-13H,1H3,(H,23,26)
InChIKeyDQNRODIFDVQAHJ-UHFFFAOYSA-N
MW453.28 g/mol
LogP5.17
Rot. Bonds3

About 2-iodo-N-[3-(5-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide

2-iodo-N-[3-(5-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide (PubChem CID 23738260) has the molecular formula C21H16IN3O and a molecular weight of 453.28 g/mol. Its IUPAC name is 2-iodo-N-[3-(5-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-iodo-N-[3-(5-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
PubChem CID23738260
Molecular FormulaC21H16IN3O
Molecular Weight453.28 g/mol
Exact Mass453.03
IUPAC Name2-iodo-N-[3-(5-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
SMILESCc1cccc2nc(-c3cccc(NC(=O)c4ccccc4I)c3)cn12
InChIInChI=1S/C21H16IN3O/c1-14-6-4-11-20-24-19(13-25(14)20)15-7-5-8-16(12-15)23-21(26)17-9-2-3-10-18(17)22/h2-13H,1H3,(H,23,26)
InChIKeyDQNRODIFDVQAHJ-UHFFFAOYSA-N
XLogP5.17
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.28
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[3-(5-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide
CID 3499762
5-methyl-2-phenylimidazo[1,2-a]pyridine
CID 735395
N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]naphthalene-1-carboxamide
CID 40691824
cis-(1R,2S)-2-[[3-(5-methylimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 7344043
N-(3-acetamidophenyl)-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 26114454
N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 75405070
N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide
CID 43936475
3-(5-methylimidazo[1,2-a]pyridin-2-yl)aniline
CID 2771080
N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(trifluoromethyl)benzamide
CID 121090012
2-iodo-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzamide
CID 41077662
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 122285119
N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-phenoxybenzamide
CID 122284880

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[3-(5-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide?
The IUPAC name of 2-iodo-N-[3-(5-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide (CID 23738260) is 2-iodo-N-[3-(5-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide.
What is the SMILES notation for 2-iodo-N-[3-(5-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide?
The canonical SMILES for 2-iodo-N-[3-(5-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide is Cc1cccc2nc(-c3cccc(NC(=O)c4ccccc4I)c3)cn12.
What is the InChIKey of 2-iodo-N-[3-(5-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide?
The InChIKey is DQNRODIFDVQAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16IN3O/c1-14-6-4-11-20-24-19(13-25(14)20)15-7-5-8-16(12-15)23-21(26)17-9-2-3-10-18(17)22/h2-13H,1H3,(H,23,26).
What are the key properties of 2-iodo-N-[3-(5-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide?
2-iodo-N-[3-(5-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide has a molecular weight of 453.28 g/mol, XLogP of 5.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[3-(5-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide is sourced from PubChem (CID 23738260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).