N-[(4-hydroxyphenyl)methylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide

C17H13F3N4O2 — CID 5165448

IUPACN-[(4-hydroxyphenyl)methylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(C(F)(F)F)nc2ccccc21)NN=Cc1ccc(O)cc1
InChIInChI=1S/C17H13F3N4O2/c18-17(19,20)16-22-13-3-1-2-4-14(13)24(16)10-15(26)23-21-9-11-5-7-12(25)8-6-11/h1-9,25H,10H2,(H,23,26)
InChIKeyZOEYCCYESDFYOH-UHFFFAOYSA-N
MW362.31 g/mol
LogP2.91
Rot. Bonds4

About N-[(4-hydroxyphenyl)methylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide

N-[(4-hydroxyphenyl)methylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide (PubChem CID 5165448) has the molecular formula C17H13F3N4O2 and a molecular weight of 362.31 g/mol. Its IUPAC name is N-[(4-hydroxyphenyl)methylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(4-hydroxyphenyl)methylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
PubChem CID5165448
Molecular FormulaC17H13F3N4O2
Molecular Weight362.31 g/mol
Exact Mass362.10
IUPAC NameN-[(4-hydroxyphenyl)methylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(C(F)(F)F)nc2ccccc21)NN=Cc1ccc(O)cc1
InChIInChI=1S/C17H13F3N4O2/c18-17(19,20)16-22-13-3-1-2-4-14(13)24(16)10-15(26)23-21-9-11-5-7-12(25)8-6-11/h1-9,25H,10H2,(H,23,26)
InChIKeyZOEYCCYESDFYOH-UHFFFAOYSA-N
XLogP2.91
TPSA79.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.31
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 135717105
2-(2-methylbenzimidazol-1-yl)-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 9121382
N-(cinnamylideneamino)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 4027824
N-[(E)-(2,4-dimethylphenyl)methylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 42996927
N-(benzylideneamino)-2-(2-methylbenzimidazol-1-yl)acetamide
CID 4173634
2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide
CID 57333394
N-prop-2-enyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 4669088
N-(benzylideneamino)-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide
CID 3673852
3-methyl-N'-[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]butanehydrazide
CID 9417778
N-(2,3-dihydroinden-1-ylideneamino)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 3561013
N-[1-(4-phenylphenyl)ethylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 4259074
N-[1-(4-methylphenyl)ethylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 4040290

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyphenyl)methylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-[(4-hydroxyphenyl)methylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide (CID 5165448) is N-[(4-hydroxyphenyl)methylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-[(4-hydroxyphenyl)methylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-[(4-hydroxyphenyl)methylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide is O=C(Cn1c(C(F)(F)F)nc2ccccc21)NN=Cc1ccc(O)cc1.
What is the InChIKey of N-[(4-hydroxyphenyl)methylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The InChIKey is ZOEYCCYESDFYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4O2/c18-17(19,20)16-22-13-3-1-2-4-14(13)24(16)10-15(26)23-21-9-11-5-7-12(25)8-6-11/h1-9,25H,10H2,(H,23,26).
What are the key properties of N-[(4-hydroxyphenyl)methylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
N-[(4-hydroxyphenyl)methylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide has a molecular weight of 362.31 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyphenyl)methylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 5165448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).