4-chloro-N-(6,8-dibromo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide

C18H10Br2ClN3OS — CID 979735

IUPAC4-chloro-N-(6,8-dibromo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide
SMILESO=C(Nc1c(-c2cccs2)nc2c(Br)cc(Br)cn12)c1ccc(Cl)cc1
InChIInChI=1S/C18H10Br2ClN3OS/c19-11-8-13(20)16-22-15(14-2-1-7-26-14)17(24(16)9-11)23-18(25)10-3-5-12(21)6-4-10/h1-9H,(H,23,25)
InChIKeyMEWSBNIVOLYKGU-UHFFFAOYSA-N
MW511.63 g/mol
LogP6.49
Rot. Bonds3

About 4-chloro-N-(6,8-dibromo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide

4-chloro-N-(6,8-dibromo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide (PubChem CID 979735) has the molecular formula C18H10Br2ClN3OS and a molecular weight of 511.63 g/mol. Its IUPAC name is 4-chloro-N-(6,8-dibromo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(6,8-dibromo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide
PubChem CID979735
Molecular FormulaC18H10Br2ClN3OS
Molecular Weight511.63 g/mol
Exact Mass508.86
IUPAC Name4-chloro-N-(6,8-dibromo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide
SMILESO=C(Nc1c(-c2cccs2)nc2c(Br)cc(Br)cn12)c1ccc(Cl)cc1
InChIInChI=1S/C18H10Br2ClN3OS/c19-11-8-13(20)16-22-15(14-2-1-7-26-14)17(24(16)9-11)23-18(25)10-3-5-12(21)6-4-10/h1-9H,(H,23,25)
InChIKeyMEWSBNIVOLYKGU-UHFFFAOYSA-N
XLogP6.49
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.63
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(6,8-dibromo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide?
The IUPAC name of 4-chloro-N-(6,8-dibromo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide (CID 979735) is 4-chloro-N-(6,8-dibromo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(6,8-dibromo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide?
The canonical SMILES for 4-chloro-N-(6,8-dibromo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide is O=C(Nc1c(-c2cccs2)nc2c(Br)cc(Br)cn12)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(6,8-dibromo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide?
The InChIKey is MEWSBNIVOLYKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Br2ClN3OS/c19-11-8-13(20)16-22-15(14-2-1-7-26-14)17(24(16)9-11)23-18(25)10-3-5-12(21)6-4-10/h1-9H,(H,23,25).
What are the key properties of 4-chloro-N-(6,8-dibromo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide?
4-chloro-N-(6,8-dibromo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide has a molecular weight of 511.63 g/mol, XLogP of 6.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(6,8-dibromo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide is sourced from PubChem (CID 979735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).