3-(furan-2-yl)-1-[(Z)-2-(2-oxo-3H-benzimidazol-1-yl)-2-[4-(trifluoromethyl)phenyl]ethenyl]quinoxalin-2-one

C28H17F3N4O3 — CID 71729854

IUPAC3-(furan-2-yl)-1-[(Z)-2-(2-oxo-3H-benzimidazol-1-yl)-2-[4-(trifluoromethyl)phenyl]ethenyl]quinoxalin-2-one
SMILESO=c1c(-c2ccco2)nc2ccccc2n1/C=C(/c1ccc(C(F)(F)F)cc1)n1c(=O)[nH]c2ccccc21
InChIInChI=1S/C28H17F3N4O3/c29-28(30,31)18-13-11-17(12-14-18)23(35-22-9-4-2-7-20(22)33-27(35)37)16-34-21-8-3-1-6-19(21)32-25(26(34)36)24-10-5-15-38-24/h1-16H,(H,33,37)/b23-16-
InChIKeyHBDQPWAQIDWFGO-KQWNVCNZSA-N
MW514.46 g/mol
LogP5.82
Rot. Bonds4

About 3-(furan-2-yl)-1-[(Z)-2-(2-oxo-3H-benzimidazol-1-yl)-2-[4-(trifluoromethyl)phenyl]ethenyl]quinoxalin-2-one

3-(furan-2-yl)-1-[(Z)-2-(2-oxo-3H-benzimidazol-1-yl)-2-[4-(trifluoromethyl)phenyl]ethenyl]quinoxalin-2-one (PubChem CID 71729854) has the molecular formula C28H17F3N4O3 and a molecular weight of 514.46 g/mol. Its IUPAC name is 3-(furan-2-yl)-1-[(Z)-2-(2-oxo-3H-benzimidazol-1-yl)-2-[4-(trifluoromethyl)phenyl]ethenyl]quinoxalin-2-one.

Molecular Properties

Compound Name3-(furan-2-yl)-1-[(Z)-2-(2-oxo-3H-benzimidazol-1-yl)-2-[4-(trifluoromethyl)phenyl]ethenyl]quinoxalin-2-one
PubChem CID71729854
Molecular FormulaC28H17F3N4O3
Molecular Weight514.46 g/mol
Exact Mass514.13
IUPAC Name3-(furan-2-yl)-1-[(Z)-2-(2-oxo-3H-benzimidazol-1-yl)-2-[4-(trifluoromethyl)phenyl]ethenyl]quinoxalin-2-one
SMILESO=c1c(-c2ccco2)nc2ccccc2n1/C=C(/c1ccc(C(F)(F)F)cc1)n1c(=O)[nH]c2ccccc21
InChIInChI=1S/C28H17F3N4O3/c29-28(30,31)18-13-11-17(12-14-18)23(35-22-9-4-2-7-20(22)33-27(35)37)16-34-21-8-3-1-6-19(21)32-25(26(34)36)24-10-5-15-38-24/h1-16H,(H,33,37)/b23-16-
InChIKeyHBDQPWAQIDWFGO-KQWNVCNZSA-N
XLogP5.82
TPSA85.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.46
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 53383163
1-[1H-benzimidazol-2-yl(pyridin-2-yl)methyl]-3-(furan-2-yl)quinoxalin-2-one
CID 53383495
2-oxo-3H-benzimidazole-1-carboxamide;hydrochloride
CID 68841950
3-(furan-2-yl)quinoxalin-2-amine
CID 102364345
2-oxo-3H-benzimidazole-1-carbonyl chloride
CID 10584064
N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]furan-2-carboxamide
CID 53063111
2-(2-oxo-3H-benzimidazol-1-yl)-3H-benzimidazole-5-carboxylic acid
CID 70143818
3-(furan-2-yl)-1,4-benzoxazin-2-one
CID 164680158
3-(4-chlorophenyl)-1-(2,2,2-trifluoroethyl)quinoxalin-2-one;1-(2,2-difluoroethyl)-3-(4-fluorophenyl)quinoxalin-2-one;1-(2,2,2-trifluoroethyl)-3-[4-(trifluoromethyl)phenyl]quinoxalin-2-one
CID 160569818
2-(furan-2-yl)-1H-benzimidazole;hydrochloride
CID 163330035
N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 16905486
4-[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]benzoic acid
CID 86202893

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-1-[(Z)-2-(2-oxo-3H-benzimidazol-1-yl)-2-[4-(trifluoromethyl)phenyl]ethenyl]quinoxalin-2-one?
The IUPAC name of 3-(furan-2-yl)-1-[(Z)-2-(2-oxo-3H-benzimidazol-1-yl)-2-[4-(trifluoromethyl)phenyl]ethenyl]quinoxalin-2-one (CID 71729854) is 3-(furan-2-yl)-1-[(Z)-2-(2-oxo-3H-benzimidazol-1-yl)-2-[4-(trifluoromethyl)phenyl]ethenyl]quinoxalin-2-one.
What is the SMILES notation for 3-(furan-2-yl)-1-[(Z)-2-(2-oxo-3H-benzimidazol-1-yl)-2-[4-(trifluoromethyl)phenyl]ethenyl]quinoxalin-2-one?
The canonical SMILES for 3-(furan-2-yl)-1-[(Z)-2-(2-oxo-3H-benzimidazol-1-yl)-2-[4-(trifluoromethyl)phenyl]ethenyl]quinoxalin-2-one is O=c1c(-c2ccco2)nc2ccccc2n1/C=C(/c1ccc(C(F)(F)F)cc1)n1c(=O)[nH]c2ccccc21.
What is the InChIKey of 3-(furan-2-yl)-1-[(Z)-2-(2-oxo-3H-benzimidazol-1-yl)-2-[4-(trifluoromethyl)phenyl]ethenyl]quinoxalin-2-one?
The InChIKey is HBDQPWAQIDWFGO-KQWNVCNZSA-N. The full InChI is InChI=1S/C28H17F3N4O3/c29-28(30,31)18-13-11-17(12-14-18)23(35-22-9-4-2-7-20(22)33-27(35)37)16-34-21-8-3-1-6-19(21)32-25(26(34)36)24-10-5-15-38-24/h1-16H,(H,33,37)/b23-16-.
What are the key properties of 3-(furan-2-yl)-1-[(Z)-2-(2-oxo-3H-benzimidazol-1-yl)-2-[4-(trifluoromethyl)phenyl]ethenyl]quinoxalin-2-one?
3-(furan-2-yl)-1-[(Z)-2-(2-oxo-3H-benzimidazol-1-yl)-2-[4-(trifluoromethyl)phenyl]ethenyl]quinoxalin-2-one has a molecular weight of 514.46 g/mol, XLogP of 5.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-1-[(Z)-2-(2-oxo-3H-benzimidazol-1-yl)-2-[4-(trifluoromethyl)phenyl]ethenyl]quinoxalin-2-one is sourced from PubChem (CID 71729854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).