2-chloro-6-fluoro-N-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]benzamide

C16H13ClFN3OS — CID 72717255

IUPAC2-chloro-6-fluoro-N-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]benzamide
SMILESO=C(NCCc1ncc(-c2cccs2)[nH]1)c1c(F)cccc1Cl
InChIInChI=1S/C16H13ClFN3OS/c17-10-3-1-4-11(18)15(10)16(22)19-7-6-14-20-9-12(21-14)13-5-2-8-23-13/h1-5,8-9H,6-7H2,(H,19,22)(H,20,21)
InChIKeyBDNLPFGLESPOCY-UHFFFAOYSA-N
MW349.82 g/mol
LogP3.90
Rot. Bonds5

About 2-chloro-6-fluoro-N-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]benzamide

2-chloro-6-fluoro-N-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]benzamide (PubChem CID 72717255) has the molecular formula C16H13ClFN3OS and a molecular weight of 349.82 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]benzamide
PubChem CID72717255
Molecular FormulaC16H13ClFN3OS
Molecular Weight349.82 g/mol
Exact Mass349.05
IUPAC Name2-chloro-6-fluoro-N-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]benzamide
SMILESO=C(NCCc1ncc(-c2cccs2)[nH]1)c1c(F)cccc1Cl
InChIInChI=1S/C16H13ClFN3OS/c17-10-3-1-4-11(18)15(10)16(22)19-7-6-14-20-9-12(21-14)13-5-2-8-23-13/h1-5,8-9H,6-7H2,(H,19,22)(H,20,21)
InChIKeyBDNLPFGLESPOCY-UHFFFAOYSA-N
XLogP3.90
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]benzamide (CID 72717255) is 2-chloro-6-fluoro-N-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]benzamide is O=C(NCCc1ncc(-c2cccs2)[nH]1)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]benzamide?
The InChIKey is BDNLPFGLESPOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3OS/c17-10-3-1-4-11(18)15(10)16(22)19-7-6-14-20-9-12(21-14)13-5-2-8-23-13/h1-5,8-9H,6-7H2,(H,19,22)(H,20,21).
What are the key properties of 2-chloro-6-fluoro-N-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]benzamide?
2-chloro-6-fluoro-N-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]benzamide has a molecular weight of 349.82 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 72717255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).