5-bromo-2-chloro-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]benzamide

C16H13BrClN5O — CID 122243688

IUPAC5-bromo-2-chloro-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]benzamide
SMILESO=C(NCCn1ccnc1-c1cnccn1)c1cc(Br)ccc1Cl
InChIInChI=1S/C16H13BrClN5O/c17-11-1-2-13(18)12(9-11)16(24)22-6-8-23-7-5-21-15(23)14-10-19-3-4-20-14/h1-5,7,9-10H,6,8H2,(H,22,24)
InChIKeyVEDCJDFEUOBCCK-UHFFFAOYSA-N
MW406.67 g/mol
LogP3.19
Rot. Bonds5

About 5-bromo-2-chloro-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]benzamide

5-bromo-2-chloro-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]benzamide (PubChem CID 122243688) has the molecular formula C16H13BrClN5O and a molecular weight of 406.67 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]benzamide
PubChem CID122243688
Molecular FormulaC16H13BrClN5O
Molecular Weight406.67 g/mol
Exact Mass405.00
IUPAC Name5-bromo-2-chloro-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]benzamide
SMILESO=C(NCCn1ccnc1-c1cnccn1)c1cc(Br)ccc1Cl
InChIInChI=1S/C16H13BrClN5O/c17-11-1-2-13(18)12(9-11)16(24)22-6-8-23-7-5-21-15(23)14-10-19-3-4-20-14/h1-5,7,9-10H,6,8H2,(H,22,24)
InChIKeyVEDCJDFEUOBCCK-UHFFFAOYSA-N
XLogP3.19
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.67
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-difluorophenyl)-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]acetamide
CID 122243741
3-fluoro-4-methoxy-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]benzamide
CID 122243744
2-ethoxy-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]acetamide
CID 122243681
5-bromo-2-chloro-N-(3-imidazol-1-ylpropyl)benzamide
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2-phenoxy-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]propanamide
CID 122243693
N'-(5-bromo-2-chlorobenzoyl)pyrazine-2-carbohydrazide
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N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]-3-thiophen-2-ylprop-2-enamide
CID 171136734
5-bromo-2-chloro-N-(2-pyrimidin-5-ylethyl)benzamide
CID 91813337
N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]benzamide
CID 86266110
5-bromo-2-chloro-N-[2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]benzamide
CID 121116451
5-bromo-2-chloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide
CID 55659264
N-(3-aminopropyl)-5-bromo-2-chlorobenzamide
CID 43378819

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]benzamide?
The IUPAC name of 5-bromo-2-chloro-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]benzamide (CID 122243688) is 5-bromo-2-chloro-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]benzamide is O=C(NCCn1ccnc1-c1cnccn1)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]benzamide?
The InChIKey is VEDCJDFEUOBCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrClN5O/c17-11-1-2-13(18)12(9-11)16(24)22-6-8-23-7-5-21-15(23)14-10-19-3-4-20-14/h1-5,7,9-10H,6,8H2,(H,22,24).
What are the key properties of 5-bromo-2-chloro-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]benzamide?
5-bromo-2-chloro-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]benzamide has a molecular weight of 406.67 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]benzamide is sourced from PubChem (CID 122243688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).