N-prop-2-enyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide

C13H12F3N3O — CID 4669088

IUPACN-prop-2-enyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
SMILESC=CCNC(=O)Cn1c(C(F)(F)F)nc2ccccc21
InChIInChI=1S/C13H12F3N3O/c1-2-7-17-11(20)8-19-10-6-4-3-5-9(10)18-12(19)13(14,15)16/h2-6H,1,7-8H2,(H,17,20)
InChIKeyCTMWAUZTDCEIGY-UHFFFAOYSA-N
MW283.25 g/mol
LogP2.36
Rot. Bonds4

About N-prop-2-enyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide

N-prop-2-enyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide (PubChem CID 4669088) has the molecular formula C13H12F3N3O and a molecular weight of 283.25 g/mol. Its IUPAC name is N-prop-2-enyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-prop-2-enyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
PubChem CID4669088
Molecular FormulaC13H12F3N3O
Molecular Weight283.25 g/mol
Exact Mass283.09
IUPAC NameN-prop-2-enyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
SMILESC=CCNC(=O)Cn1c(C(F)(F)F)nc2ccccc21
InChIInChI=1S/C13H12F3N3O/c1-2-7-17-11(20)8-19-10-6-4-3-5-9(10)18-12(19)13(14,15)16/h2-6H,1,7-8H2,(H,17,20)
InChIKeyCTMWAUZTDCEIGY-UHFFFAOYSA-N
XLogP2.36
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(3-phenylpropyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 27647017
N-(pyridin-2-ylmethyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 40655464
N-[2-(methylamino)propyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide;hydrochloride
CID 120832280
N-cyclopropyl-2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]acetamide
CID 18163659
N'-but-1-en-2-yl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetohydrazide
CID 7043891
N-(2-bromophenyl)-2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]acetamide
CID 26622776
3-methyl-N'-[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]butanehydrazide
CID 9417778
N-(1-methylcyclobutyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 46970987
N-[2-(difluoromethylsulfanyl)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 40723417
N-[(4-hydroxyphenyl)methylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 5165448
N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 41282930
N-[[2-(ethoxymethyl)phenyl]methyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 37399077

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-prop-2-enyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide (CID 4669088) is N-prop-2-enyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-prop-2-enyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-prop-2-enyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide is C=CCNC(=O)Cn1c(C(F)(F)F)nc2ccccc21.
What is the InChIKey of N-prop-2-enyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The InChIKey is CTMWAUZTDCEIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O/c1-2-7-17-11(20)8-19-10-6-4-3-5-9(10)18-12(19)13(14,15)16/h2-6H,1,7-8H2,(H,17,20).
What are the key properties of N-prop-2-enyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
N-prop-2-enyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide has a molecular weight of 283.25 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 4669088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).