N-(9,10-dioxoanthracen-1-yl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide

C24H14F3N3O3 — CID 39045058

IUPACN-(9,10-dioxoanthracen-1-yl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(C(F)(F)F)nc2ccccc21)Nc1cccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C24H14F3N3O3/c25-24(26,27)23-29-16-9-3-4-11-18(16)30(23)12-19(31)28-17-10-5-8-15-20(17)22(33)14-7-2-1-6-13(14)21(15)32/h1-11H,12H2,(H,28,31)
InChIKeyZBKKENWHUKPDAM-UHFFFAOYSA-N
MW449.39 g/mol
LogP4.47
Rot. Bonds3

About N-(9,10-dioxoanthracen-1-yl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide

N-(9,10-dioxoanthracen-1-yl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide (PubChem CID 39045058) has the molecular formula C24H14F3N3O3 and a molecular weight of 449.39 g/mol. Its IUPAC name is N-(9,10-dioxoanthracen-1-yl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(9,10-dioxoanthracen-1-yl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
PubChem CID39045058
Molecular FormulaC24H14F3N3O3
Molecular Weight449.39 g/mol
Exact Mass449.10
IUPAC NameN-(9,10-dioxoanthracen-1-yl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(C(F)(F)F)nc2ccccc21)Nc1cccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C24H14F3N3O3/c25-24(26,27)23-29-16-9-3-4-11-18(16)30(23)12-19(31)28-17-10-5-8-15-20(17)22(33)14-7-2-1-6-13(14)21(15)32/h1-11H,12H2,(H,28,31)
InChIKeyZBKKENWHUKPDAM-UHFFFAOYSA-N
XLogP4.47
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.39
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(difluoromethylsulfanyl)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 40723417
N-(4-oxo-1H-pyridin-3-yl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 51114324
N-(2-piperidin-1-ylsulfonylphenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 60549313
N-(2-fluoro-5-methylphenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 40723406
N-(3-iodophenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 26517476
4-chloro-N-[2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]phenyl]benzamide
CID 31965173
N-(2-bromophenyl)-2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]acetamide
CID 26622776
N-[2-(piperidine-1-carbonyl)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 35275235
N-(2-morpholin-4-ylphenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 4878936
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 37003501
N-cyclopropyl-2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]benzamide
CID 26905640
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 26688623

Frequently Asked Questions

What is the IUPAC name of N-(9,10-dioxoanthracen-1-yl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-(9,10-dioxoanthracen-1-yl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide (CID 39045058) is N-(9,10-dioxoanthracen-1-yl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-(9,10-dioxoanthracen-1-yl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-(9,10-dioxoanthracen-1-yl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide is O=C(Cn1c(C(F)(F)F)nc2ccccc21)Nc1cccc2c1C(=O)c1ccccc1C2=O.
What is the InChIKey of N-(9,10-dioxoanthracen-1-yl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The InChIKey is ZBKKENWHUKPDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14F3N3O3/c25-24(26,27)23-29-16-9-3-4-11-18(16)30(23)12-19(31)28-17-10-5-8-15-20(17)22(33)14-7-2-1-6-13(14)21(15)32/h1-11H,12H2,(H,28,31).
What are the key properties of N-(9,10-dioxoanthracen-1-yl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
N-(9,10-dioxoanthracen-1-yl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide has a molecular weight of 449.39 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,10-dioxoanthracen-1-yl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 39045058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).