N-[6-chloro-5-cyano-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-3-cyclopentylpropanamide

C19H17ClF3N5O2 — CID 136960842

IUPACN-[6-chloro-5-cyano-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-3-cyclopentylpropanamide
SMILESN#Cc1c(Cl)ccc2c1nc1n2C(NC(=O)CCC2CCCC2)(C(F)(F)F)C(=O)N1
InChIInChI=1S/C19H17ClF3N5O2/c20-12-6-7-13-15(11(12)9-24)25-17-26-16(30)18(28(13)17,19(21,22)23)27-14(29)8-5-10-3-1-2-4-10/h6-7,10H,1-5,8H2,(H,27,29)(H,25,26,30)
InChIKeyPBYZQMHGNYKLQS-UHFFFAOYSA-N
MW439.83 g/mol
LogP3.82
Rot. Bonds4

About N-[6-chloro-5-cyano-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-3-cyclopentylpropanamide

N-[6-chloro-5-cyano-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-3-cyclopentylpropanamide (PubChem CID 136960842) has the molecular formula C19H17ClF3N5O2 and a molecular weight of 439.83 g/mol. Its IUPAC name is N-[6-chloro-5-cyano-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-3-cyclopentylpropanamide.

Molecular Properties

Compound NameN-[6-chloro-5-cyano-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-3-cyclopentylpropanamide
PubChem CID136960842
Molecular FormulaC19H17ClF3N5O2
Molecular Weight439.83 g/mol
Exact Mass439.10
IUPAC NameN-[6-chloro-5-cyano-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-3-cyclopentylpropanamide
SMILESN#Cc1c(Cl)ccc2c1nc1n2C(NC(=O)CCC2CCCC2)(C(F)(F)F)C(=O)N1
InChIInChI=1S/C19H17ClF3N5O2/c20-12-6-7-13-15(11(12)9-24)25-17-26-16(30)18(28(13)17,19(21,22)23)27-14(29)8-5-10-3-1-2-4-10/h6-7,10H,1-5,8H2,(H,27,29)(H,25,26,30)
InChIKeyPBYZQMHGNYKLQS-UHFFFAOYSA-N
XLogP3.82
TPSA99.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.83
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-5-cyano-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-3-cyclopentylpropanamide?
The IUPAC name of N-[6-chloro-5-cyano-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-3-cyclopentylpropanamide (CID 136960842) is N-[6-chloro-5-cyano-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-3-cyclopentylpropanamide.
What is the SMILES notation for N-[6-chloro-5-cyano-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-3-cyclopentylpropanamide?
The canonical SMILES for N-[6-chloro-5-cyano-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-3-cyclopentylpropanamide is N#Cc1c(Cl)ccc2c1nc1n2C(NC(=O)CCC2CCCC2)(C(F)(F)F)C(=O)N1.
What is the InChIKey of N-[6-chloro-5-cyano-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-3-cyclopentylpropanamide?
The InChIKey is PBYZQMHGNYKLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF3N5O2/c20-12-6-7-13-15(11(12)9-24)25-17-26-16(30)18(28(13)17,19(21,22)23)27-14(29)8-5-10-3-1-2-4-10/h6-7,10H,1-5,8H2,(H,27,29)(H,25,26,30).
What are the key properties of N-[6-chloro-5-cyano-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-3-cyclopentylpropanamide?
N-[6-chloro-5-cyano-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-3-cyclopentylpropanamide has a molecular weight of 439.83 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-5-cyano-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-3-cyclopentylpropanamide is sourced from PubChem (CID 136960842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).