N-[6,7-dimethyl-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-4-phenylbenzamide

C25H19F3N4O2 — CID 136960868

IUPACN-[6,7-dimethyl-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-4-phenylbenzamide
SMILESCc1cc2nc3n(c2cc1C)C(NC(=O)c1ccc(-c2ccccc2)cc1)(C(F)(F)F)C(=O)N3
InChIInChI=1S/C25H19F3N4O2/c1-14-12-19-20(13-15(14)2)32-23(29-19)30-22(34)24(32,25(26,27)28)31-21(33)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-13H,1-2H3,(H,31,33)(H,29,30,34)
InChIKeyYUDRXDUWPDLFDY-UHFFFAOYSA-N
MW464.45 g/mol
LogP4.92
Rot. Bonds3

About N-[6,7-dimethyl-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-4-phenylbenzamide

N-[6,7-dimethyl-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-4-phenylbenzamide (PubChem CID 136960868) has the molecular formula C25H19F3N4O2 and a molecular weight of 464.45 g/mol. Its IUPAC name is N-[6,7-dimethyl-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[6,7-dimethyl-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-4-phenylbenzamide
PubChem CID136960868
Molecular FormulaC25H19F3N4O2
Molecular Weight464.45 g/mol
Exact Mass464.15
IUPAC NameN-[6,7-dimethyl-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-4-phenylbenzamide
SMILESCc1cc2nc3n(c2cc1C)C(NC(=O)c1ccc(-c2ccccc2)cc1)(C(F)(F)F)C(=O)N3
InChIInChI=1S/C25H19F3N4O2/c1-14-12-19-20(13-15(14)2)32-23(29-19)30-22(34)24(32,25(26,27)28)31-21(33)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-13H,1-2H3,(H,31,33)(H,29,30,34)
InChIKeyYUDRXDUWPDLFDY-UHFFFAOYSA-N
XLogP4.92
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.45
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6,7-dimethyl-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-4-phenylbenzamide?
The IUPAC name of N-[6,7-dimethyl-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-4-phenylbenzamide (CID 136960868) is N-[6,7-dimethyl-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-4-phenylbenzamide.
What is the SMILES notation for N-[6,7-dimethyl-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-4-phenylbenzamide?
The canonical SMILES for N-[6,7-dimethyl-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-4-phenylbenzamide is Cc1cc2nc3n(c2cc1C)C(NC(=O)c1ccc(-c2ccccc2)cc1)(C(F)(F)F)C(=O)N3.
What is the InChIKey of N-[6,7-dimethyl-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-4-phenylbenzamide?
The InChIKey is YUDRXDUWPDLFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N4O2/c1-14-12-19-20(13-15(14)2)32-23(29-19)30-22(34)24(32,25(26,27)28)31-21(33)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-13H,1-2H3,(H,31,33)(H,29,30,34).
What are the key properties of N-[6,7-dimethyl-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-4-phenylbenzamide?
N-[6,7-dimethyl-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-4-phenylbenzamide has a molecular weight of 464.45 g/mol, XLogP of 4.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6,7-dimethyl-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-4-phenylbenzamide is sourced from PubChem (CID 136960868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).