2-(7-acetylbenzimidazol-1-yl)-N-[3-acetyl-5-(trifluoromethyl)phenyl]acetamide

C20H16F3N3O3 — CID 11596534

IUPAC2-(7-acetylbenzimidazol-1-yl)-N-[3-acetyl-5-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)c1cc(NC(=O)Cn2cnc3cccc(C(C)=O)c32)cc(C(F)(F)F)c1
InChIInChI=1S/C20H16F3N3O3/c1-11(27)13-6-14(20(21,22)23)8-15(7-13)25-18(29)9-26-10-24-17-5-3-4-16(12(2)28)19(17)26/h3-8,10H,9H2,1-2H3,(H,25,29)
InChIKeyUSBPUSCODQQSQH-UHFFFAOYSA-N
MW403.36 g/mol
LogP4.10
Rot. Bonds5

About 2-(7-acetylbenzimidazol-1-yl)-N-[3-acetyl-5-(trifluoromethyl)phenyl]acetamide

2-(7-acetylbenzimidazol-1-yl)-N-[3-acetyl-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 11596534) has the molecular formula C20H16F3N3O3 and a molecular weight of 403.36 g/mol. Its IUPAC name is 2-(7-acetylbenzimidazol-1-yl)-N-[3-acetyl-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(7-acetylbenzimidazol-1-yl)-N-[3-acetyl-5-(trifluoromethyl)phenyl]acetamide
PubChem CID11596534
Molecular FormulaC20H16F3N3O3
Molecular Weight403.36 g/mol
Exact Mass403.11
IUPAC Name2-(7-acetylbenzimidazol-1-yl)-N-[3-acetyl-5-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)c1cc(NC(=O)Cn2cnc3cccc(C(C)=O)c32)cc(C(F)(F)F)c1
InChIInChI=1S/C20H16F3N3O3/c1-11(27)13-6-14(20(21,22)23)8-15(7-13)25-18(29)9-26-10-24-17-5-3-4-16(12(2)28)19(17)26/h3-8,10H,9H2,1-2H3,(H,25,29)
InChIKeyUSBPUSCODQQSQH-UHFFFAOYSA-N
XLogP4.10
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.36
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-[3-methoxy-5-(trifluoromethyl)anilino]-2-oxoethyl]benzimidazole-4-carboxylic acid
CID 69054095
2-(benzimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 744841
N-(3,4-dimethylphenyl)-2-[7-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 11393876
3-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-N-methylbenzimidazole-4-carboxamide
CID 11588709
N-(2,3-dihydro-1H-inden-5-yl)-2-[7-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 11279830
N-[3,5-bis(trifluoromethyl)phenyl]-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide
CID 121064355
2-(7-bromobenzimidazol-1-yl)-N-(3,5-dimethoxyphenyl)acetamide
CID 11440680
1-(3-acetylphenyl)-3-[3,5-bis(trifluoromethyl)phenyl]thiourea
CID 19649247
N-(3-acetylphenyl)-2-(benzotriazol-1-yl)acetamide
CID 863030
N-(3-acetylphenyl)-2-[2-chloro-5-(trifluoromethyl)anilino]acetamide
CID 109009852
N-(4-acetylphenyl)-N'-[3-(trifluoromethyl)phenyl]propanediamide
CID 108956065
2-(2-acetylphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 112781566

Frequently Asked Questions

What is the IUPAC name of 2-(7-acetylbenzimidazol-1-yl)-N-[3-acetyl-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(7-acetylbenzimidazol-1-yl)-N-[3-acetyl-5-(trifluoromethyl)phenyl]acetamide (CID 11596534) is 2-(7-acetylbenzimidazol-1-yl)-N-[3-acetyl-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(7-acetylbenzimidazol-1-yl)-N-[3-acetyl-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(7-acetylbenzimidazol-1-yl)-N-[3-acetyl-5-(trifluoromethyl)phenyl]acetamide is CC(=O)c1cc(NC(=O)Cn2cnc3cccc(C(C)=O)c32)cc(C(F)(F)F)c1.
What is the InChIKey of 2-(7-acetylbenzimidazol-1-yl)-N-[3-acetyl-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is USBPUSCODQQSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O3/c1-11(27)13-6-14(20(21,22)23)8-15(7-13)25-18(29)9-26-10-24-17-5-3-4-16(12(2)28)19(17)26/h3-8,10H,9H2,1-2H3,(H,25,29).
What are the key properties of 2-(7-acetylbenzimidazol-1-yl)-N-[3-acetyl-5-(trifluoromethyl)phenyl]acetamide?
2-(7-acetylbenzimidazol-1-yl)-N-[3-acetyl-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 403.36 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-acetylbenzimidazol-1-yl)-N-[3-acetyl-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 11596534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).