N-(2,3-dihydroinden-1-ylideneamino)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide

C19H15F3N4O — CID 3561013

IUPACN-(2,3-dihydroinden-1-ylideneamino)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(C(F)(F)F)nc2ccccc21)NN=C1CCc2ccccc21
InChIInChI=1S/C19H15F3N4O/c20-19(21,22)18-23-15-7-3-4-8-16(15)26(18)11-17(27)25-24-14-10-9-12-5-1-2-6-13(12)14/h1-8H,9-11H2,(H,25,27)
InChIKeyDFGJFEYYHUQBOB-UHFFFAOYSA-N
MW372.35 g/mol
LogP3.52
Rot. Bonds3

About N-(2,3-dihydroinden-1-ylideneamino)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide

N-(2,3-dihydroinden-1-ylideneamino)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide (PubChem CID 3561013) has the molecular formula C19H15F3N4O and a molecular weight of 372.35 g/mol. Its IUPAC name is N-(2,3-dihydroinden-1-ylideneamino)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dihydroinden-1-ylideneamino)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
PubChem CID3561013
Molecular FormulaC19H15F3N4O
Molecular Weight372.35 g/mol
Exact Mass372.12
IUPAC NameN-(2,3-dihydroinden-1-ylideneamino)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(C(F)(F)F)nc2ccccc21)NN=C1CCc2ccccc21
InChIInChI=1S/C19H15F3N4O/c20-19(21,22)18-23-15-7-3-4-8-16(15)26(18)11-17(27)25-24-14-10-9-12-5-1-2-6-13(12)14/h1-8H,9-11H2,(H,25,27)
InChIKeyDFGJFEYYHUQBOB-UHFFFAOYSA-N
XLogP3.52
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 53.52
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-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 4845594
N-[(E)-[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 30180715
N-[(E)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 30180714
N-[(E)-2,3-dihydroinden-1-ylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 7789881
N-[(4-hydroxyphenyl)methylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 5165448
N-(1-naphthalen-2-ylethylideneamino)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 5223322
1-pyrrolidin-1-yl-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanone
CID 1477753
N-[1-(4-methylphenyl)ethylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 4040290
N-[1-(4-phenylphenyl)ethylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 4259074
N-(cinnamylideneamino)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 4027824
N-(1-methylcyclobutyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 46970987
N-prop-2-enyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 4669088

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroinden-1-ylideneamino)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-(2,3-dihydroinden-1-ylideneamino)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide (CID 3561013) is N-(2,3-dihydroinden-1-ylideneamino)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-(2,3-dihydroinden-1-ylideneamino)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-(2,3-dihydroinden-1-ylideneamino)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide is O=C(Cn1c(C(F)(F)F)nc2ccccc21)NN=C1CCc2ccccc21.
What is the InChIKey of N-(2,3-dihydroinden-1-ylideneamino)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The InChIKey is DFGJFEYYHUQBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O/c20-19(21,22)18-23-15-7-3-4-8-16(15)26(18)11-17(27)25-24-14-10-9-12-5-1-2-6-13(12)14/h1-8H,9-11H2,(H,25,27).
What are the key properties of N-(2,3-dihydroinden-1-ylideneamino)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
N-(2,3-dihydroinden-1-ylideneamino)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide has a molecular weight of 372.35 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroinden-1-ylideneamino)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 3561013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).