(E)-3-(3-methylthiophen-2-yl)-N'-[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]prop-2-enehydrazide

C18H15F3N4O2S — CID 9417771

IUPAC(E)-3-(3-methylthiophen-2-yl)-N'-[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]prop-2-enehydrazide
SMILESCc1ccsc1/C=C/C(=O)NNC(=O)Cn1c(C(F)(F)F)nc2ccccc21
InChIInChI=1S/C18H15F3N4O2S/c1-11-8-9-28-14(11)6-7-15(26)23-24-16(27)10-25-13-5-3-2-4-12(13)22-17(25)18(19,20)21/h2-9H,10H2,1H3,(H,23,26)(H,24,27)/b7-6+
InChIKeyZMVZDTJCTYWSLT-VOTSOKGWSA-N
MW408.41 g/mol
LogP3.29
Rot. Bonds4

About (E)-3-(3-methylthiophen-2-yl)-N'-[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]prop-2-enehydrazide

(E)-3-(3-methylthiophen-2-yl)-N'-[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]prop-2-enehydrazide (PubChem CID 9417771) has the molecular formula C18H15F3N4O2S and a molecular weight of 408.41 g/mol. Its IUPAC name is (E)-3-(3-methylthiophen-2-yl)-N'-[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]prop-2-enehydrazide.

Molecular Properties

Compound Name(E)-3-(3-methylthiophen-2-yl)-N'-[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]prop-2-enehydrazide
PubChem CID9417771
Molecular FormulaC18H15F3N4O2S
Molecular Weight408.41 g/mol
Exact Mass408.09
IUPAC Name(E)-3-(3-methylthiophen-2-yl)-N'-[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]prop-2-enehydrazide
SMILESCc1ccsc1/C=C/C(=O)NNC(=O)Cn1c(C(F)(F)F)nc2ccccc21
InChIInChI=1S/C18H15F3N4O2S/c1-11-8-9-28-14(11)6-7-15(26)23-24-16(27)10-25-13-5-3-2-4-12(13)22-17(25)18(19,20)21/h2-9H,10H2,1H3,(H,23,26)(H,24,27)/b7-6+
InChIKeyZMVZDTJCTYWSLT-VOTSOKGWSA-N
XLogP3.29
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N'-[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]butanehydrazide
CID 9417778
N'-but-1-en-2-yl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetohydrazide
CID 7043891
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetohydrazide
CID 27568841
(E)-3-(3-methylthiophen-2-yl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]prop-2-enehydrazide
CID 9078172
N-(3-methyl-2-pyridinyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 39951951
N-prop-2-enyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 4669088
N'-[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetohydrazide
CID 8812406
2-(2-methylbenzimidazol-1-yl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]acetamide
CID 7387968
N-[(E)-(2,4-dimethylphenyl)methylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 42996927
N-(1-methylcyclobutyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 46970987
N-[(4-hydroxyphenyl)methylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 5165448
N-(pyridin-2-ylmethyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 40655464

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-methylthiophen-2-yl)-N'-[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]prop-2-enehydrazide?
The IUPAC name of (E)-3-(3-methylthiophen-2-yl)-N'-[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]prop-2-enehydrazide (CID 9417771) is (E)-3-(3-methylthiophen-2-yl)-N'-[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]prop-2-enehydrazide.
What is the SMILES notation for (E)-3-(3-methylthiophen-2-yl)-N'-[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]prop-2-enehydrazide?
The canonical SMILES for (E)-3-(3-methylthiophen-2-yl)-N'-[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]prop-2-enehydrazide is Cc1ccsc1/C=C/C(=O)NNC(=O)Cn1c(C(F)(F)F)nc2ccccc21.
What is the InChIKey of (E)-3-(3-methylthiophen-2-yl)-N'-[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]prop-2-enehydrazide?
The InChIKey is ZMVZDTJCTYWSLT-VOTSOKGWSA-N. The full InChI is InChI=1S/C18H15F3N4O2S/c1-11-8-9-28-14(11)6-7-15(26)23-24-16(27)10-25-13-5-3-2-4-12(13)22-17(25)18(19,20)21/h2-9H,10H2,1H3,(H,23,26)(H,24,27)/b7-6+.
What are the key properties of (E)-3-(3-methylthiophen-2-yl)-N'-[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]prop-2-enehydrazide?
(E)-3-(3-methylthiophen-2-yl)-N'-[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]prop-2-enehydrazide has a molecular weight of 408.41 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-methylthiophen-2-yl)-N'-[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]prop-2-enehydrazide is sourced from PubChem (CID 9417771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).