(2Z)-2-(1H-benzimidazol-2-yl)-1-(4-methoxyphenyl)-2-[[2-(trifluoromethyl)phenyl]hydrazinylidene]ethanone

C23H17F3N4O2 — CID 135691045

IUPAC(2Z)-2-(1H-benzimidazol-2-yl)-1-(4-methoxyphenyl)-2-[[2-(trifluoromethyl)phenyl]hydrazinylidene]ethanone
SMILESCOc1ccc(C(=O)/C(=N\Nc2ccccc2C(F)(F)F)c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C23H17F3N4O2/c1-32-15-12-10-14(11-13-15)21(31)20(22-27-18-8-4-5-9-19(18)28-22)30-29-17-7-3-2-6-16(17)23(24,25)26/h2-13,29H,1H3,(H,27,28)/b30-20+
InChIKeyIWZFZWUQAVVXTP-TWKHWXDSSA-N
MW438.41 g/mol
LogP5.29
Rot. Bonds6

About (2Z)-2-(1H-benzimidazol-2-yl)-1-(4-methoxyphenyl)-2-[[2-(trifluoromethyl)phenyl]hydrazinylidene]ethanone

(2Z)-2-(1H-benzimidazol-2-yl)-1-(4-methoxyphenyl)-2-[[2-(trifluoromethyl)phenyl]hydrazinylidene]ethanone (PubChem CID 135691045) has the molecular formula C23H17F3N4O2 and a molecular weight of 438.41 g/mol. Its IUPAC name is (2Z)-2-(1H-benzimidazol-2-yl)-1-(4-methoxyphenyl)-2-[[2-(trifluoromethyl)phenyl]hydrazinylidene]ethanone.

Molecular Properties

Compound Name(2Z)-2-(1H-benzimidazol-2-yl)-1-(4-methoxyphenyl)-2-[[2-(trifluoromethyl)phenyl]hydrazinylidene]ethanone
PubChem CID135691045
Molecular FormulaC23H17F3N4O2
Molecular Weight438.41 g/mol
Exact Mass438.13
IUPAC Name(2Z)-2-(1H-benzimidazol-2-yl)-1-(4-methoxyphenyl)-2-[[2-(trifluoromethyl)phenyl]hydrazinylidene]ethanone
SMILESCOc1ccc(C(=O)/C(=N\Nc2ccccc2C(F)(F)F)c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C23H17F3N4O2/c1-32-15-12-10-14(11-13-15)21(31)20(22-27-18-8-4-5-9-19(18)28-22)30-29-17-7-3-2-6-16(17)23(24,25)26/h2-13,29H,1H3,(H,27,28)/b30-20+
InChIKeyIWZFZWUQAVVXTP-TWKHWXDSSA-N
XLogP5.29
TPSA79.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.41
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2Z)-2-(1H-benzimidazol-2-yl)-1-(4-methoxyphenyl)-2-[[2-(trifluoromethyl)phenyl]hydrazinylidene]ethanone 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

3-[(E)-N-anilino-C-(4-methoxybenzoyl)carbonimidoyl]-1H-quinoxalin-2-one
CID 135423303
3-[(E)-C-benzoyl-N-(4-methoxyanilino)carbonimidoyl]-1H-quinoxalin-2-one
CID 135545421
N-[bis(1H-benzimidazol-2-yl)methylideneamino]-4-methoxyaniline
CID 135921055
1-[(4-methoxybenzoyl)amino]-3-[2-(trifluoromethyl)phenyl]urea
CID 5140613
6-methoxy-N-[2-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine
CID 82562585
4-methoxy-N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzamide
CID 5019834
(2E)-N-(2-methoxyanilino)-1H-benzimidazole-2-carboximidoyl cyanide
CID 135548549
N-[(E)-1-(1H-benzimidazol-2-yl)ethylideneamino]-3,4-dimethoxybenzamide
CID 135768548
N-[2-(4-methoxyphenyl)ethyl]-1H-benzimidazole-2-carboxamide
CID 584328
5-methoxy-2-[(E)-C-methyl-N-[2-(trifluoromethyl)anilino]carbonimidoyl]phenol
CID 135614035
2-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 668862
N-[(E)-[(1E)-1-(1H-benzimidazol-2-yl)-1-(phenylhydrazinylidene)propan-2-ylidene]amino]aniline
CID 135773416

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(1H-benzimidazol-2-yl)-1-(4-methoxyphenyl)-2-[[2-(trifluoromethyl)phenyl]hydrazinylidene]ethanone?
The IUPAC name of (2Z)-2-(1H-benzimidazol-2-yl)-1-(4-methoxyphenyl)-2-[[2-(trifluoromethyl)phenyl]hydrazinylidene]ethanone (CID 135691045) is (2Z)-2-(1H-benzimidazol-2-yl)-1-(4-methoxyphenyl)-2-[[2-(trifluoromethyl)phenyl]hydrazinylidene]ethanone.
What is the SMILES notation for (2Z)-2-(1H-benzimidazol-2-yl)-1-(4-methoxyphenyl)-2-[[2-(trifluoromethyl)phenyl]hydrazinylidene]ethanone?
The canonical SMILES for (2Z)-2-(1H-benzimidazol-2-yl)-1-(4-methoxyphenyl)-2-[[2-(trifluoromethyl)phenyl]hydrazinylidene]ethanone is COc1ccc(C(=O)/C(=N\Nc2ccccc2C(F)(F)F)c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of (2Z)-2-(1H-benzimidazol-2-yl)-1-(4-methoxyphenyl)-2-[[2-(trifluoromethyl)phenyl]hydrazinylidene]ethanone?
The InChIKey is IWZFZWUQAVVXTP-TWKHWXDSSA-N. The full InChI is InChI=1S/C23H17F3N4O2/c1-32-15-12-10-14(11-13-15)21(31)20(22-27-18-8-4-5-9-19(18)28-22)30-29-17-7-3-2-6-16(17)23(24,25)26/h2-13,29H,1H3,(H,27,28)/b30-20+.
What are the key properties of (2Z)-2-(1H-benzimidazol-2-yl)-1-(4-methoxyphenyl)-2-[[2-(trifluoromethyl)phenyl]hydrazinylidene]ethanone?
(2Z)-2-(1H-benzimidazol-2-yl)-1-(4-methoxyphenyl)-2-[[2-(trifluoromethyl)phenyl]hydrazinylidene]ethanone has a molecular weight of 438.41 g/mol, XLogP of 5.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(1H-benzimidazol-2-yl)-1-(4-methoxyphenyl)-2-[[2-(trifluoromethyl)phenyl]hydrazinylidene]ethanone is sourced from PubChem (CID 135691045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).