2-[2-(4-iodophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-N,N-dimethylacetamide

C18H18IN3O — CID 10319898

IUPAC2-[2-(4-iodophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-N,N-dimethylacetamide
SMILESCc1ccc2nc(-c3ccc(I)cc3)c(CC(=O)N(C)C)n2c1
InChIInChI=1S/C18H18IN3O/c1-12-4-9-16-20-18(13-5-7-14(19)8-6-13)15(22(16)11-12)10-17(23)21(2)3/h4-9,11H,10H2,1-3H3
InChIKeyQMTLVDFHUZIFCY-UHFFFAOYSA-N
MW419.27 g/mol
LogP3.55
Rot. Bonds3

About 2-[2-(4-iodophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-N,N-dimethylacetamide

2-[2-(4-iodophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-N,N-dimethylacetamide (PubChem CID 10319898) has the molecular formula C18H18IN3O and a molecular weight of 419.27 g/mol. Its IUPAC name is 2-[2-(4-iodophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-(4-iodophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-N,N-dimethylacetamide
PubChem CID10319898
Molecular FormulaC18H18IN3O
Molecular Weight419.27 g/mol
Exact Mass419.05
IUPAC Name2-[2-(4-iodophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-N,N-dimethylacetamide
SMILESCc1ccc2nc(-c3ccc(I)cc3)c(CC(=O)N(C)C)n2c1
InChIInChI=1S/C18H18IN3O/c1-12-4-9-16-20-18(13-5-7-14(19)8-6-13)15(22(16)11-12)10-17(23)21(2)3/h4-9,11H,10H2,1-3H3
InChIKeyQMTLVDFHUZIFCY-UHFFFAOYSA-N
XLogP3.55
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.27
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-iodophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-(4-iodophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-N,N-dimethylacetamide (CID 10319898) is 2-[2-(4-iodophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-(4-iodophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-(4-iodophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-N,N-dimethylacetamide is Cc1ccc2nc(-c3ccc(I)cc3)c(CC(=O)N(C)C)n2c1.
What is the InChIKey of 2-[2-(4-iodophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-N,N-dimethylacetamide?
The InChIKey is QMTLVDFHUZIFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18IN3O/c1-12-4-9-16-20-18(13-5-7-14(19)8-6-13)15(22(16)11-12)10-17(23)21(2)3/h4-9,11H,10H2,1-3H3.
What are the key properties of 2-[2-(4-iodophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-N,N-dimethylacetamide?
2-[2-(4-iodophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-N,N-dimethylacetamide has a molecular weight of 419.27 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-iodophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 10319898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).