4-(benzimidazol-1-yl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide

C21H14F3N5O3 — CID 29409619

IUPAC4-(benzimidazol-1-yl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide
SMILESO=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(-n2cnc3ccccc32)cc1
InChIInChI=1S/C21H14F3N5O3/c22-21(23,24)14-7-10-17(19(11-14)29(31)32)26-27-20(30)13-5-8-15(9-6-13)28-12-25-16-3-1-2-4-18(16)28/h1-12,26H,(H,27,30)
InChIKeyDOKOZILTXVCHFI-UHFFFAOYSA-N
MW441.37 g/mol
LogP4.71
Rot. Bonds5

About 4-(benzimidazol-1-yl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide

4-(benzimidazol-1-yl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide (PubChem CID 29409619) has the molecular formula C21H14F3N5O3 and a molecular weight of 441.37 g/mol. Its IUPAC name is 4-(benzimidazol-1-yl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide.

Molecular Properties

Compound Name4-(benzimidazol-1-yl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide
PubChem CID29409619
Molecular FormulaC21H14F3N5O3
Molecular Weight441.37 g/mol
Exact Mass441.10
IUPAC Name4-(benzimidazol-1-yl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide
SMILESO=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(-n2cnc3ccccc32)cc1
InChIInChI=1S/C21H14F3N5O3/c22-21(23,24)14-7-10-17(19(11-14)29(31)32)26-27-20(30)13-5-8-15(9-6-13)28-12-25-16-3-1-2-4-18(16)28/h1-12,26H,(H,27,30)
InChIKeyDOKOZILTXVCHFI-UHFFFAOYSA-N
XLogP4.71
TPSA102.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.37
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-(benzimidazol-1-yl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[2-nitro-4-(trifluoromethyl)phenyl]quinoline-2-carbohydrazide
CID 29409127
2-nitro-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide
CID 29409066
N'-[2-nitro-4-(trifluoromethyl)phenyl]furan-3-carbohydrazide
CID 29409858
N'-[2-nitro-4-(trifluoromethyl)phenyl]-4-propan-2-ylbenzohydrazide
CID 29409169
3,4-dimethoxy-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide
CID 29409295
N'-[2-nitro-4-(trifluoromethyl)phenyl]-1-benzothiophene-2-carbohydrazide
CID 29409626
N-[4-(benzimidazol-1-yl)phenyl]-3-nitrobenzamide
CID 46642196
N-(4-fluorophenyl)-3-[[2-nitro-4-(trifluoromethyl)anilino]carbamoyl]benzenesulfonamide
CID 4282380
N'-[2-nitro-4-(trifluoromethyl)phenyl]-2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carbohydrazide
CID 55523358
4-methoxy-N'-[2-nitro-4-(trifluoromethyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 29409098
3-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]-1-benzofuran-2-carbohydrazide
CID 29408654
N-[2-methyl-5-[[2-nitro-4-(trifluoromethyl)anilino]carbamoyl]phenyl]furan-2-carboxamide
CID 29409356

Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-yl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide?
The IUPAC name of 4-(benzimidazol-1-yl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide (CID 29409619) is 4-(benzimidazol-1-yl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide.
What is the SMILES notation for 4-(benzimidazol-1-yl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide?
The canonical SMILES for 4-(benzimidazol-1-yl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide is O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(-n2cnc3ccccc32)cc1.
What is the InChIKey of 4-(benzimidazol-1-yl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide?
The InChIKey is DOKOZILTXVCHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3N5O3/c22-21(23,24)14-7-10-17(19(11-14)29(31)32)26-27-20(30)13-5-8-15(9-6-13)28-12-25-16-3-1-2-4-18(16)28/h1-12,26H,(H,27,30).
What are the key properties of 4-(benzimidazol-1-yl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide?
4-(benzimidazol-1-yl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide has a molecular weight of 441.37 g/mol, XLogP of 4.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazol-1-yl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide is sourced from PubChem (CID 29409619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).