2-(cyclopenten-1-ylmethoxy)-N-[6,7-dimethyl-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]propanamide

C21H23F3N4O3 — CID 137153472

IUPAC2-(cyclopenten-1-ylmethoxy)-N-[6,7-dimethyl-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]propanamide
SMILESCc1cc2nc3n(c2cc1C)C(NC(=O)C(C)OCC1=CCCC1)(C(F)(F)F)C(=O)N3
InChIInChI=1S/C21H23F3N4O3/c1-11-8-15-16(9-12(11)2)28-19(25-15)26-18(30)20(28,21(22,23)24)27-17(29)13(3)31-10-14-6-4-5-7-14/h6,8-9,13H,4-5,7,10H2,1-3H3,(H,27,29)(H,25,26,30)
InChIKeyGSZFGTGMWJIEHG-UHFFFAOYSA-N
MW436.43 g/mol
LogP3.45
Rot. Bonds5

About 2-(cyclopenten-1-ylmethoxy)-N-[6,7-dimethyl-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]propanamide

2-(cyclopenten-1-ylmethoxy)-N-[6,7-dimethyl-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]propanamide (PubChem CID 137153472) has the molecular formula C21H23F3N4O3 and a molecular weight of 436.43 g/mol. Its IUPAC name is 2-(cyclopenten-1-ylmethoxy)-N-[6,7-dimethyl-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]propanamide.

Molecular Properties

Compound Name2-(cyclopenten-1-ylmethoxy)-N-[6,7-dimethyl-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]propanamide
PubChem CID137153472
Molecular FormulaC21H23F3N4O3
Molecular Weight436.43 g/mol
Exact Mass436.17
IUPAC Name2-(cyclopenten-1-ylmethoxy)-N-[6,7-dimethyl-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]propanamide
SMILESCc1cc2nc3n(c2cc1C)C(NC(=O)C(C)OCC1=CCCC1)(C(F)(F)F)C(=O)N3
InChIInChI=1S/C21H23F3N4O3/c1-11-8-15-16(9-12(11)2)28-19(25-15)26-18(30)20(28,21(22,23)24)27-17(29)13(3)31-10-14-6-4-5-7-14/h6,8-9,13H,4-5,7,10H2,1-3H3,(H,27,29)(H,25,26,30)
InChIKeyGSZFGTGMWJIEHG-UHFFFAOYSA-N
XLogP3.45
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.43
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(cyclopenten-1-ylmethoxy)-N-[6,7-dimethyl-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(3-chlorophenoxy)-N-[6,7-dimethyl-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]propanamide
CID 136960863
N-[6,7-dimethyl-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-3,5-difluorobenzamide
CID 136960888
N-[6,7-dimethyl-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-4-phenylbenzamide
CID 136960868
N-[6,7-dimethyl-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 136961036
N-[6,7-dichloro-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]azetidine-3-carboxamide
CID 137157171
N-[2-(cyclohexen-1-yl)ethyl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324568
3-[5,6-dimethyl-2-(propan-2-yloxymethyl)benzimidazol-1-yl]propanoic acid
CID 115949439
N-benzyl-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]propanamide
CID 46284818
N-[6-chloro-5-cyano-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-3-cyclopentylpropanamide
CID 136960842
1-[1-(azepan-1-yl)-1-oxopropan-2-yl]-6,7-dimethyl-3-(trifluoromethyl)quinoxalin-2-one
CID 46284828
[(2S)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 2102964
N-[5-acetyl-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-2-(2-methoxyethylamino)-1,3-thiazole-4-carboxamide
CID 136960912

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopenten-1-ylmethoxy)-N-[6,7-dimethyl-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]propanamide?
The IUPAC name of 2-(cyclopenten-1-ylmethoxy)-N-[6,7-dimethyl-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]propanamide (CID 137153472) is 2-(cyclopenten-1-ylmethoxy)-N-[6,7-dimethyl-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]propanamide.
What is the SMILES notation for 2-(cyclopenten-1-ylmethoxy)-N-[6,7-dimethyl-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]propanamide?
The canonical SMILES for 2-(cyclopenten-1-ylmethoxy)-N-[6,7-dimethyl-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]propanamide is Cc1cc2nc3n(c2cc1C)C(NC(=O)C(C)OCC1=CCCC1)(C(F)(F)F)C(=O)N3.
What is the InChIKey of 2-(cyclopenten-1-ylmethoxy)-N-[6,7-dimethyl-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]propanamide?
The InChIKey is GSZFGTGMWJIEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N4O3/c1-11-8-15-16(9-12(11)2)28-19(25-15)26-18(30)20(28,21(22,23)24)27-17(29)13(3)31-10-14-6-4-5-7-14/h6,8-9,13H,4-5,7,10H2,1-3H3,(H,27,29)(H,25,26,30).
What are the key properties of 2-(cyclopenten-1-ylmethoxy)-N-[6,7-dimethyl-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]propanamide?
2-(cyclopenten-1-ylmethoxy)-N-[6,7-dimethyl-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]propanamide has a molecular weight of 436.43 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopenten-1-ylmethoxy)-N-[6,7-dimethyl-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]propanamide is sourced from PubChem (CID 137153472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).