3-cyclopentyl-N-[2-oxo-5-(trifluoromethoxy)-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]propanamide

C19H18F6N4O3 — CID 136960920

IUPAC3-cyclopentyl-N-[2-oxo-5-(trifluoromethoxy)-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]propanamide
SMILESO=C(CCC1CCCC1)NC1(C(F)(F)F)C(=O)Nc2nc3c(OC(F)(F)F)cccc3n21
InChIInChI=1S/C19H18F6N4O3/c20-18(21,22)17(28-13(30)9-8-10-4-1-2-5-10)15(31)27-16-26-14-11(29(16)17)6-3-7-12(14)32-19(23,24)25/h3,6-7,10H,1-2,4-5,8-9H2,(H,28,30)(H,26,27,31)
InChIKeyOPEZFVPEQUIYDQ-UHFFFAOYSA-N
MW464.37 g/mol
LogP4.19
Rot. Bonds5

About 3-cyclopentyl-N-[2-oxo-5-(trifluoromethoxy)-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]propanamide

3-cyclopentyl-N-[2-oxo-5-(trifluoromethoxy)-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]propanamide (PubChem CID 136960920) has the molecular formula C19H18F6N4O3 and a molecular weight of 464.37 g/mol. Its IUPAC name is 3-cyclopentyl-N-[2-oxo-5-(trifluoromethoxy)-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[2-oxo-5-(trifluoromethoxy)-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]propanamide
PubChem CID136960920
Molecular FormulaC19H18F6N4O3
Molecular Weight464.37 g/mol
Exact Mass464.13
IUPAC Name3-cyclopentyl-N-[2-oxo-5-(trifluoromethoxy)-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]propanamide
SMILESO=C(CCC1CCCC1)NC1(C(F)(F)F)C(=O)Nc2nc3c(OC(F)(F)F)cccc3n21
InChIInChI=1S/C19H18F6N4O3/c20-18(21,22)17(28-13(30)9-8-10-4-1-2-5-10)15(31)27-16-26-14-11(29(16)17)6-3-7-12(14)32-19(23,24)25/h3,6-7,10H,1-2,4-5,8-9H2,(H,28,30)(H,26,27,31)
InChIKeyOPEZFVPEQUIYDQ-UHFFFAOYSA-N
XLogP4.19
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.37
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[2-oxo-5-(trifluoromethoxy)-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]propanamide?
The IUPAC name of 3-cyclopentyl-N-[2-oxo-5-(trifluoromethoxy)-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]propanamide (CID 136960920) is 3-cyclopentyl-N-[2-oxo-5-(trifluoromethoxy)-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[2-oxo-5-(trifluoromethoxy)-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-[2-oxo-5-(trifluoromethoxy)-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]propanamide is O=C(CCC1CCCC1)NC1(C(F)(F)F)C(=O)Nc2nc3c(OC(F)(F)F)cccc3n21.
What is the InChIKey of 3-cyclopentyl-N-[2-oxo-5-(trifluoromethoxy)-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]propanamide?
The InChIKey is OPEZFVPEQUIYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F6N4O3/c20-18(21,22)17(28-13(30)9-8-10-4-1-2-5-10)15(31)27-16-26-14-11(29(16)17)6-3-7-12(14)32-19(23,24)25/h3,6-7,10H,1-2,4-5,8-9H2,(H,28,30)(H,26,27,31).
What are the key properties of 3-cyclopentyl-N-[2-oxo-5-(trifluoromethoxy)-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]propanamide?
3-cyclopentyl-N-[2-oxo-5-(trifluoromethoxy)-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]propanamide has a molecular weight of 464.37 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[2-oxo-5-(trifluoromethoxy)-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]propanamide is sourced from PubChem (CID 136960920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).