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

C19H13F5N4O2 — CID 136960888

IUPACN-[6,7-dimethyl-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-3,5-difluorobenzamide
SMILESCc1cc2nc3n(c2cc1C)C(NC(=O)c1cc(F)cc(F)c1)(C(F)(F)F)C(=O)N3
InChIInChI=1S/C19H13F5N4O2/c1-8-3-13-14(4-9(8)2)28-17(25-13)26-16(30)18(28,19(22,23)24)27-15(29)10-5-11(20)7-12(21)6-10/h3-7H,1-2H3,(H,27,29)(H,25,26,30)
InChIKeyVOVXHTVRWZCXTD-UHFFFAOYSA-N
MW424.33 g/mol
LogP3.53
Rot. Bonds2

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

N-[6,7-dimethyl-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-3,5-difluorobenzamide (PubChem CID 136960888) has the molecular formula C19H13F5N4O2 and a molecular weight of 424.33 g/mol. Its IUPAC name is N-[6,7-dimethyl-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-3,5-difluorobenzamide.

Molecular Properties

Compound NameN-[6,7-dimethyl-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-3,5-difluorobenzamide
PubChem CID136960888
Molecular FormulaC19H13F5N4O2
Molecular Weight424.33 g/mol
Exact Mass424.10
IUPAC NameN-[6,7-dimethyl-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-3,5-difluorobenzamide
SMILESCc1cc2nc3n(c2cc1C)C(NC(=O)c1cc(F)cc(F)c1)(C(F)(F)F)C(=O)N3
InChIInChI=1S/C19H13F5N4O2/c1-8-3-13-14(4-9(8)2)28-17(25-13)26-16(30)18(28,19(22,23)24)27-15(29)10-5-11(20)7-12(21)6-10/h3-7H,1-2H3,(H,27,29)(H,25,26,30)
InChIKeyVOVXHTVRWZCXTD-UHFFFAOYSA-N
XLogP3.53
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.33
LogP ≤ 53.53
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]-3,5-difluorobenzamide?
The IUPAC name of N-[6,7-dimethyl-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-3,5-difluorobenzamide (CID 136960888) is N-[6,7-dimethyl-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-3,5-difluorobenzamide.
What is the SMILES notation for N-[6,7-dimethyl-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-3,5-difluorobenzamide?
The canonical SMILES for N-[6,7-dimethyl-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-3,5-difluorobenzamide is Cc1cc2nc3n(c2cc1C)C(NC(=O)c1cc(F)cc(F)c1)(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]-3,5-difluorobenzamide?
The InChIKey is VOVXHTVRWZCXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F5N4O2/c1-8-3-13-14(4-9(8)2)28-17(25-13)26-16(30)18(28,19(22,23)24)27-15(29)10-5-11(20)7-12(21)6-10/h3-7H,1-2H3,(H,27,29)(H,25,26,30).
What are the key properties of N-[6,7-dimethyl-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-3,5-difluorobenzamide?
N-[6,7-dimethyl-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-3,5-difluorobenzamide has a molecular weight of 424.33 g/mol, XLogP of 3.53, 2 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]-3,5-difluorobenzamide is sourced from PubChem (CID 136960888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).