2-cyclohexyl-N-[6,7-difluoro-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]acetamide

C18H17F5N4O2 — CID 136961012

IUPAC2-cyclohexyl-N-[6,7-difluoro-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
SMILESO=C(CC1CCCCC1)NC1(C(F)(F)F)C(=O)Nc2nc3cc(F)c(F)cc3n21
InChIInChI=1S/C18H17F5N4O2/c19-10-7-12-13(8-11(10)20)27-16(24-12)25-15(29)17(27,18(21,22)23)26-14(28)6-9-4-2-1-3-5-9/h7-9H,1-6H2,(H,26,28)(H,24,25,29)
InChIKeyHDQKHEKUSZDFMZ-UHFFFAOYSA-N
MW416.35 g/mol
LogP3.57
Rot. Bonds3

About 2-cyclohexyl-N-[6,7-difluoro-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]acetamide

2-cyclohexyl-N-[6,7-difluoro-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]acetamide (PubChem CID 136961012) has the molecular formula C18H17F5N4O2 and a molecular weight of 416.35 g/mol. Its IUPAC name is 2-cyclohexyl-N-[6,7-difluoro-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[6,7-difluoro-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
PubChem CID136961012
Molecular FormulaC18H17F5N4O2
Molecular Weight416.35 g/mol
Exact Mass416.13
IUPAC Name2-cyclohexyl-N-[6,7-difluoro-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
SMILESO=C(CC1CCCCC1)NC1(C(F)(F)F)C(=O)Nc2nc3cc(F)c(F)cc3n21
InChIInChI=1S/C18H17F5N4O2/c19-10-7-12-13(8-11(10)20)27-16(24-12)25-15(29)17(27,18(21,22)23)26-14(28)6-9-4-2-1-3-5-9/h7-9H,1-6H2,(H,26,28)(H,24,25,29)
InChIKeyHDQKHEKUSZDFMZ-UHFFFAOYSA-N
XLogP3.57
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.35
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[6,7-difluoro-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]acetamide?
The IUPAC name of 2-cyclohexyl-N-[6,7-difluoro-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]acetamide (CID 136961012) is 2-cyclohexyl-N-[6,7-difluoro-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]acetamide.
What is the SMILES notation for 2-cyclohexyl-N-[6,7-difluoro-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]acetamide?
The canonical SMILES for 2-cyclohexyl-N-[6,7-difluoro-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]acetamide is O=C(CC1CCCCC1)NC1(C(F)(F)F)C(=O)Nc2nc3cc(F)c(F)cc3n21.
What is the InChIKey of 2-cyclohexyl-N-[6,7-difluoro-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]acetamide?
The InChIKey is HDQKHEKUSZDFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F5N4O2/c19-10-7-12-13(8-11(10)20)27-16(24-12)25-15(29)17(27,18(21,22)23)26-14(28)6-9-4-2-1-3-5-9/h7-9H,1-6H2,(H,26,28)(H,24,25,29).
What are the key properties of 2-cyclohexyl-N-[6,7-difluoro-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]acetamide?
2-cyclohexyl-N-[6,7-difluoro-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]acetamide has a molecular weight of 416.35 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[6,7-difluoro-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]acetamide is sourced from PubChem (CID 136961012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).