N-(cinnamylideneamino)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide

C19H15F3N4O — CID 4027824

IUPACN-(cinnamylideneamino)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(C(F)(F)F)nc2ccccc21)NN=CC=Cc1ccccc1
InChIInChI=1S/C19H15F3N4O/c20-19(21,22)18-24-15-10-4-5-11-16(15)26(18)13-17(27)25-23-12-6-9-14-7-2-1-3-8-14/h1-12H,13H2,(H,25,27)
InChIKeyYQNVYVNZDVUJCD-UHFFFAOYSA-N
MW372.35 g/mol
LogP3.87
Rot. Bonds5

About N-(cinnamylideneamino)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide

N-(cinnamylideneamino)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide (PubChem CID 4027824) has the molecular formula C19H15F3N4O and a molecular weight of 372.35 g/mol. Its IUPAC name is N-(cinnamylideneamino)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(cinnamylideneamino)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
PubChem CID4027824
Molecular FormulaC19H15F3N4O
Molecular Weight372.35 g/mol
Exact Mass372.12
IUPAC NameN-(cinnamylideneamino)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(C(F)(F)F)nc2ccccc21)NN=CC=Cc1ccccc1
InChIInChI=1S/C19H15F3N4O/c20-19(21,22)18-24-15-10-4-5-11-16(15)26(18)13-17(27)25-23-12-6-9-14-7-2-1-3-8-14/h1-12H,13H2,(H,25,27)
InChIKeyYQNVYVNZDVUJCD-UHFFFAOYSA-N
XLogP3.87
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-hydroxyphenyl)methylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 5165448
N-[1-(4-phenylphenyl)ethylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 4259074
N-[(E)-(2,4-dimethylphenyl)methylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 42996927
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 135717105
N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 6908230
N'-but-1-en-2-yl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetohydrazide
CID 7043891
N-prop-2-enyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 4669088
N-(3-phenylpropyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 27647017
N-[1-(4-methylphenyl)ethylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 4040290
1-[(E)-3-phenylprop-2-enyl]-2-(trifluoromethyl)benzimidazole
CID 16996768
N-(2,3-dihydroinden-1-ylideneamino)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 3561013
N-(benzylideneamino)-2-(2-methylbenzimidazol-1-yl)acetamide
CID 4173634

Frequently Asked Questions

What is the IUPAC name of N-(cinnamylideneamino)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-(cinnamylideneamino)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide (CID 4027824) is N-(cinnamylideneamino)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-(cinnamylideneamino)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-(cinnamylideneamino)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide is O=C(Cn1c(C(F)(F)F)nc2ccccc21)NN=CC=Cc1ccccc1.
What is the InChIKey of N-(cinnamylideneamino)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The InChIKey is YQNVYVNZDVUJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O/c20-19(21,22)18-24-15-10-4-5-11-16(15)26(18)13-17(27)25-23-12-6-9-14-7-2-1-3-8-14/h1-12H,13H2,(H,25,27).
What are the key properties of N-(cinnamylideneamino)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
N-(cinnamylideneamino)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide has a molecular weight of 372.35 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cinnamylideneamino)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 4027824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).