N-[(E)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide

C17H15F3N4O — CID 30180714

IUPACN-[(E)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(C(F)(F)F)nc2ccccc21)N/N=C1\C[C@@H]2C=CC[C@H]12
InChIInChI=1S/C17H15F3N4O/c18-17(19,20)16-21-12-6-1-2-7-14(12)24(16)9-15(25)23-22-13-8-10-4-3-5-11(10)13/h1-4,6-7,10-11H,5,8-9H2,(H,23,25)/b22-13+/t10-,11-/m0/s1
InChIKeyJRAAYNSTYLQGLF-OHPJAOLYSA-N
MW348.33 g/mol
LogP3.12
Rot. Bonds3

About N-[(E)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide

N-[(E)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide (PubChem CID 30180714) has the molecular formula C17H15F3N4O and a molecular weight of 348.33 g/mol. Its IUPAC name is N-[(E)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(E)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
PubChem CID30180714
Molecular FormulaC17H15F3N4O
Molecular Weight348.33 g/mol
Exact Mass348.12
IUPAC NameN-[(E)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(C(F)(F)F)nc2ccccc21)N/N=C1\C[C@@H]2C=CC[C@H]12
InChIInChI=1S/C17H15F3N4O/c18-17(19,20)16-21-12-6-1-2-7-14(12)24(16)9-15(25)23-22-13-8-10-4-3-5-11(10)13/h1-4,6-7,10-11H,5,8-9H2,(H,23,25)/b22-13+/t10-,11-/m0/s1
InChIKeyJRAAYNSTYLQGLF-OHPJAOLYSA-N
XLogP3.12
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide 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-[(E)-[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 30180715
N-(2,3-dihydroinden-1-ylideneamino)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 3561013
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]acetamide
CID 99643868
N-(6-bicyclo[3.2.0]hept-2-enylideneamino)-2-phenylacetamide
CID 3745194
N-(1-naphthalen-2-ylethylideneamino)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 5223322
N-cyclopropyl-2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]acetamide
CID 18163659
N-[(4-hydroxyphenyl)methylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 5165448
2-[2-(trifluoromethyl)benzimidazol-1-yl]-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]acetamide
CID 30602465
1-pyrrolidin-1-yl-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanone
CID 1477753
N-(1-adamantyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 27650234
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-[(E)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-[(E)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide (CID 30180714) is N-[(E)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-[(E)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-[(E)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide is O=C(Cn1c(C(F)(F)F)nc2ccccc21)N/N=C1\C[C@@H]2C=CC[C@H]12.
What is the InChIKey of N-[(E)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The InChIKey is JRAAYNSTYLQGLF-OHPJAOLYSA-N. The full InChI is InChI=1S/C17H15F3N4O/c18-17(19,20)16-21-12-6-1-2-7-14(12)24(16)9-15(25)23-22-13-8-10-4-3-5-11(10)13/h1-4,6-7,10-11H,5,8-9H2,(H,23,25)/b22-13+/t10-,11-/m0/s1.
What are the key properties of N-[(E)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
N-[(E)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide has a molecular weight of 348.33 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 30180714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).