N-[5-acetyl-6,7-dimethyl-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-3-cyclopentylpropanamide

C22H25F3N4O3 — CID 136961043

IUPACN-[5-acetyl-6,7-dimethyl-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-3-cyclopentylpropanamide
SMILESCC(=O)c1c(C)c(C)cc2c1nc1n2C(NC(=O)CCC2CCCC2)(C(F)(F)F)C(=O)N1
InChIInChI=1S/C22H25F3N4O3/c1-11-10-15-18(17(12(11)2)13(3)30)26-20-27-19(32)21(29(15)20,22(23,24)25)28-16(31)9-8-14-6-4-5-7-14/h10,14H,4-9H2,1-3H3,(H,28,31)(H,26,27,32)
InChIKeySAMRZWFRGWSCHX-UHFFFAOYSA-N
MW450.46 g/mol
LogP4.11
Rot. Bonds5

About N-[5-acetyl-6,7-dimethyl-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-3-cyclopentylpropanamide

N-[5-acetyl-6,7-dimethyl-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-3-cyclopentylpropanamide (PubChem CID 136961043) has the molecular formula C22H25F3N4O3 and a molecular weight of 450.46 g/mol. Its IUPAC name is N-[5-acetyl-6,7-dimethyl-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-3-cyclopentylpropanamide.

Molecular Properties

Compound NameN-[5-acetyl-6,7-dimethyl-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-3-cyclopentylpropanamide
PubChem CID136961043
Molecular FormulaC22H25F3N4O3
Molecular Weight450.46 g/mol
Exact Mass450.19
IUPAC NameN-[5-acetyl-6,7-dimethyl-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-3-cyclopentylpropanamide
SMILESCC(=O)c1c(C)c(C)cc2c1nc1n2C(NC(=O)CCC2CCCC2)(C(F)(F)F)C(=O)N1
InChIInChI=1S/C22H25F3N4O3/c1-11-10-15-18(17(12(11)2)13(3)30)26-20-27-19(32)21(29(15)20,22(23,24)25)28-16(31)9-8-14-6-4-5-7-14/h10,14H,4-9H2,1-3H3,(H,28,31)(H,26,27,32)
InChIKeySAMRZWFRGWSCHX-UHFFFAOYSA-N
XLogP4.11
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.46
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-acetyl-6,7-dimethyl-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-3-cyclopentylpropanamide?
The IUPAC name of N-[5-acetyl-6,7-dimethyl-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-3-cyclopentylpropanamide (CID 136961043) is N-[5-acetyl-6,7-dimethyl-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-3-cyclopentylpropanamide.
What is the SMILES notation for N-[5-acetyl-6,7-dimethyl-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-3-cyclopentylpropanamide?
The canonical SMILES for N-[5-acetyl-6,7-dimethyl-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-3-cyclopentylpropanamide is CC(=O)c1c(C)c(C)cc2c1nc1n2C(NC(=O)CCC2CCCC2)(C(F)(F)F)C(=O)N1.
What is the InChIKey of N-[5-acetyl-6,7-dimethyl-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-3-cyclopentylpropanamide?
The InChIKey is SAMRZWFRGWSCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N4O3/c1-11-10-15-18(17(12(11)2)13(3)30)26-20-27-19(32)21(29(15)20,22(23,24)25)28-16(31)9-8-14-6-4-5-7-14/h10,14H,4-9H2,1-3H3,(H,28,31)(H,26,27,32).
What are the key properties of N-[5-acetyl-6,7-dimethyl-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-3-cyclopentylpropanamide?
N-[5-acetyl-6,7-dimethyl-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-3-cyclopentylpropanamide has a molecular weight of 450.46 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-acetyl-6,7-dimethyl-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-3-cyclopentylpropanamide is sourced from PubChem (CID 136961043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).