N-[1-(4-methylphenyl)ethylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide

C19H17F3N4O — CID 4040290

IUPACN-[1-(4-methylphenyl)ethylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
SMILESCC(=NNC(=O)Cn1c(C(F)(F)F)nc2ccccc21)c1ccc(C)cc1
InChIInChI=1S/C19H17F3N4O/c1-12-7-9-14(10-8-12)13(2)24-25-17(27)11-26-16-6-4-3-5-15(16)23-18(26)19(20,21)22/h3-10H,11H2,1-2H3,(H,25,27)
InChIKeyQMHIYHALLUIFKW-UHFFFAOYSA-N
MW374.37 g/mol
LogP3.90
Rot. Bonds4

About N-[1-(4-methylphenyl)ethylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide

N-[1-(4-methylphenyl)ethylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide (PubChem CID 4040290) has the molecular formula C19H17F3N4O and a molecular weight of 374.37 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)ethylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)ethylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
PubChem CID4040290
Molecular FormulaC19H17F3N4O
Molecular Weight374.37 g/mol
Exact Mass374.14
IUPAC NameN-[1-(4-methylphenyl)ethylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
SMILESCC(=NNC(=O)Cn1c(C(F)(F)F)nc2ccccc21)c1ccc(C)cc1
InChIInChI=1S/C19H17F3N4O/c1-12-7-9-14(10-8-12)13(2)24-25-17(27)11-26-16-6-4-3-5-15(16)23-18(26)19(20,21)22/h3-10H,11H2,1-2H3,(H,25,27)
InChIKeyQMHIYHALLUIFKW-UHFFFAOYSA-N
XLogP3.90
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 53.90
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-[1-(4-phenylphenyl)ethylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 4259074
N-(1-naphthalen-2-ylethylideneamino)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 5223322
N-[1-(1,3-benzodioxol-5-yl)ethylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 4260575
N-[(Z)-1-(1H-pyrrol-2-yl)ethylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 136711440
N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 9121418
N-[(E)-(2,4-dimethylphenyl)methylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 42996927
2-(2-methylbenzimidazol-1-yl)-N-[(Z)-1-pyridin-4-ylethylideneamino]acetamide
CID 9121387
N-(2-fluoro-5-methylphenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 40723406
N-[(4-hydroxyphenyl)methylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 5165448
2-indol-1-yl-N-[1-(4-methylphenyl)ethylideneamino]acetamide
CID 4258982
N-prop-2-enyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 4669088
2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)-N-[1-(4-methylphenyl)ethylideneamino]acetamide
CID 3088163

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)ethylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-[1-(4-methylphenyl)ethylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide (CID 4040290) is N-[1-(4-methylphenyl)ethylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-[1-(4-methylphenyl)ethylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-[1-(4-methylphenyl)ethylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide is CC(=NNC(=O)Cn1c(C(F)(F)F)nc2ccccc21)c1ccc(C)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)ethylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The InChIKey is QMHIYHALLUIFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O/c1-12-7-9-14(10-8-12)13(2)24-25-17(27)11-26-16-6-4-3-5-15(16)23-18(26)19(20,21)22/h3-10H,11H2,1-2H3,(H,25,27).
What are the key properties of N-[1-(4-methylphenyl)ethylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
N-[1-(4-methylphenyl)ethylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide has a molecular weight of 374.37 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)ethylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 4040290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).