4-chloro-N-(6-iodo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide

C18H11ClIN3OS — CID 166636339

IUPAC4-chloro-N-(6-iodo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide
SMILESO=C(Nc1c(-c2cccs2)nc2ccc(I)cn12)c1ccc(Cl)cc1
InChIInChI=1S/C18H11ClIN3OS/c19-12-5-3-11(4-6-12)18(24)22-17-16(14-2-1-9-25-14)21-15-8-7-13(20)10-23(15)17/h1-10H,(H,22,24)
InChIKeyANNOEIZZDONHQD-UHFFFAOYSA-N
MW479.73 g/mol
LogP5.57
Rot. Bonds3

About 4-chloro-N-(6-iodo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide

4-chloro-N-(6-iodo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide (PubChem CID 166636339) has the molecular formula C18H11ClIN3OS and a molecular weight of 479.73 g/mol. Its IUPAC name is 4-chloro-N-(6-iodo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(6-iodo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide
PubChem CID166636339
Molecular FormulaC18H11ClIN3OS
Molecular Weight479.73 g/mol
Exact Mass478.94
IUPAC Name4-chloro-N-(6-iodo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide
SMILESO=C(Nc1c(-c2cccs2)nc2ccc(I)cn12)c1ccc(Cl)cc1
InChIInChI=1S/C18H11ClIN3OS/c19-12-5-3-11(4-6-12)18(24)22-17-16(14-2-1-9-25-14)21-15-8-7-13(20)10-23(15)17/h1-10H,(H,22,24)
InChIKeyANNOEIZZDONHQD-UHFFFAOYSA-N
XLogP5.57
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.73
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide
CID 979718
4-methyl-N-(2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide
CID 751469
4-chloro-N-(2,4-dithiophen-2-yl-1,3-thiazol-5-yl)benzamide
CID 171703835
N-(6-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)furan-2-carboxamide
CID 35523629
(E)-3-(6-chloro-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid
CID 39196006
N-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-(trifluoromethyl)benzamide
CID 42693739
1-(6-chloro-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)propan-1-ol
CID 82029571
4-chloro-N-(2-naphthalen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide
CID 3452000
2-methyl-N-(2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide
CID 5141011
N-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-ethylbenzamide
CID 42881568
1-[(6-chloro-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-4-carboxylate
CID 40638712
2-chloro-N-[5-[(4-chlorobenzoyl)amino]-4-thiophen-2-yl-1,3-thiazol-2-yl]benzamide;1,4-dioxane
CID 45128836

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(6-iodo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide?
The IUPAC name of 4-chloro-N-(6-iodo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide (CID 166636339) is 4-chloro-N-(6-iodo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(6-iodo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide?
The canonical SMILES for 4-chloro-N-(6-iodo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide is O=C(Nc1c(-c2cccs2)nc2ccc(I)cn12)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(6-iodo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide?
The InChIKey is ANNOEIZZDONHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClIN3OS/c19-12-5-3-11(4-6-12)18(24)22-17-16(14-2-1-9-25-14)21-15-8-7-13(20)10-23(15)17/h1-10H,(H,22,24).
What are the key properties of 4-chloro-N-(6-iodo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide?
4-chloro-N-(6-iodo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide has a molecular weight of 479.73 g/mol, XLogP of 5.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(6-iodo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide is sourced from PubChem (CID 166636339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).