2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide

C23H15F3N4O2S — CID 5133969

IUPAC2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(CSc1nc2ccccc2c2nc3ccccc3n12)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C23H15F3N4O2S/c24-23(25,26)32-15-11-9-14(10-12-15)27-20(31)13-33-22-29-17-6-2-1-5-16(17)21-28-18-7-3-4-8-19(18)30(21)22/h1-12H,13H2,(H,27,31)
InChIKeyCFKANNPQYYDUFG-UHFFFAOYSA-N
MW468.46 g/mol
LogP5.67
Rot. Bonds5

About 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide

2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 5133969) has the molecular formula C23H15F3N4O2S and a molecular weight of 468.46 g/mol. Its IUPAC name is 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID5133969
Molecular FormulaC23H15F3N4O2S
Molecular Weight468.46 g/mol
Exact Mass468.09
IUPAC Name2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(CSc1nc2ccccc2c2nc3ccccc3n12)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C23H15F3N4O2S/c24-23(25,26)32-15-11-9-14(10-12-15)27-20(31)13-33-22-29-17-6-2-1-5-16(17)21-28-18-7-3-4-8-19(18)30(21)22/h1-12H,13H2,(H,27,31)
InChIKeyCFKANNPQYYDUFG-UHFFFAOYSA-N
XLogP5.67
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.46
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-acetylbenzimidazol-2-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 4284823
2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(3-ethylphenyl)acetamide
CID 5134658
2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(3-chlorophenyl)acetamide
CID 2967063
2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 5007961
2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(2,3-dichlorophenyl)acetamide
CID 3959698
2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(3-methylbutyl)acetamide
CID 4790109
2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-cyclopentylacetamide
CID 5025656
2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-[(4-bromophenyl)methyl]acetamide
CID 126832304
2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(2-phenylpropyl)acetamide
CID 18272930
N-benzyl-6-[2-(3-methoxyanilino)-2-oxoethyl]sulfanylbenzimidazolo[1,2-c]quinazoline-3-carboxamide
CID 4185073
2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide
CID 7043316
2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]acetamide
CID 42982367

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide (CID 5133969) is 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide is O=C(CSc1nc2ccccc2c2nc3ccccc3n12)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is CFKANNPQYYDUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F3N4O2S/c24-23(25,26)32-15-11-9-14(10-12-15)27-20(31)13-33-22-29-17-6-2-1-5-16(17)21-28-18-7-3-4-8-19(18)30(21)22/h1-12H,13H2,(H,27,31).
What are the key properties of 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide?
2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 468.46 g/mol, XLogP of 5.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 5133969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).