4-nitro-N-[(Z)-2-[5-(trifluoromethyl)benzimidazol-1-yl]ethenyl]benzamide

C17H11F3N4O3 — CID 16681754

IUPAC4-nitro-N-[(Z)-2-[5-(trifluoromethyl)benzimidazol-1-yl]ethenyl]benzamide
SMILESO=C(N/C=C\n1cnc2cc(C(F)(F)F)ccc21)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H11F3N4O3/c18-17(19,20)12-3-6-15-14(9-12)22-10-23(15)8-7-21-16(25)11-1-4-13(5-2-11)24(26)27/h1-10H,(H,21,25)/b8-7-
InChIKeyOHQCXCUKIRVHRS-FPLPWBNLSA-N
MW376.29 g/mol
LogP3.82
Rot. Bonds4

About 4-nitro-N-[(Z)-2-[5-(trifluoromethyl)benzimidazol-1-yl]ethenyl]benzamide

4-nitro-N-[(Z)-2-[5-(trifluoromethyl)benzimidazol-1-yl]ethenyl]benzamide (PubChem CID 16681754) has the molecular formula C17H11F3N4O3 and a molecular weight of 376.29 g/mol. Its IUPAC name is 4-nitro-N-[(Z)-2-[5-(trifluoromethyl)benzimidazol-1-yl]ethenyl]benzamide.

Molecular Properties

Compound Name4-nitro-N-[(Z)-2-[5-(trifluoromethyl)benzimidazol-1-yl]ethenyl]benzamide
PubChem CID16681754
Molecular FormulaC17H11F3N4O3
Molecular Weight376.29 g/mol
Exact Mass376.08
IUPAC Name4-nitro-N-[(Z)-2-[5-(trifluoromethyl)benzimidazol-1-yl]ethenyl]benzamide
SMILESO=C(N/C=C\n1cnc2cc(C(F)(F)F)ccc21)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H11F3N4O3/c18-17(19,20)12-3-6-15-14(9-12)22-10-23(15)8-7-21-16(25)11-1-4-13(5-2-11)24(26)27/h1-10H,(H,21,25)/b8-7-
InChIKeyOHQCXCUKIRVHRS-FPLPWBNLSA-N
XLogP3.82
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.29
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-nitro-N-[(Z)-2-[5-(trifluoromethyl)benzimidazol-1-yl]ethenyl]benzamide?
The IUPAC name of 4-nitro-N-[(Z)-2-[5-(trifluoromethyl)benzimidazol-1-yl]ethenyl]benzamide (CID 16681754) is 4-nitro-N-[(Z)-2-[5-(trifluoromethyl)benzimidazol-1-yl]ethenyl]benzamide.
What is the SMILES notation for 4-nitro-N-[(Z)-2-[5-(trifluoromethyl)benzimidazol-1-yl]ethenyl]benzamide?
The canonical SMILES for 4-nitro-N-[(Z)-2-[5-(trifluoromethyl)benzimidazol-1-yl]ethenyl]benzamide is O=C(N/C=C\n1cnc2cc(C(F)(F)F)ccc21)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-nitro-N-[(Z)-2-[5-(trifluoromethyl)benzimidazol-1-yl]ethenyl]benzamide?
The InChIKey is OHQCXCUKIRVHRS-FPLPWBNLSA-N. The full InChI is InChI=1S/C17H11F3N4O3/c18-17(19,20)12-3-6-15-14(9-12)22-10-23(15)8-7-21-16(25)11-1-4-13(5-2-11)24(26)27/h1-10H,(H,21,25)/b8-7-.
What are the key properties of 4-nitro-N-[(Z)-2-[5-(trifluoromethyl)benzimidazol-1-yl]ethenyl]benzamide?
4-nitro-N-[(Z)-2-[5-(trifluoromethyl)benzimidazol-1-yl]ethenyl]benzamide has a molecular weight of 376.29 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N-[(Z)-2-[5-(trifluoromethyl)benzimidazol-1-yl]ethenyl]benzamide is sourced from PubChem (CID 16681754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).