N-(pyridin-2-ylmethyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide

C16H13F3N4O — CID 40655464

IUPACN-(pyridin-2-ylmethyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(C(F)(F)F)nc2ccccc21)NCc1ccccn1
InChIInChI=1S/C16H13F3N4O/c17-16(18,19)15-22-12-6-1-2-7-13(12)23(15)10-14(24)21-9-11-5-3-4-8-20-11/h1-8H,9-10H2,(H,21,24)
InChIKeyQHCCJMYCTNBEPP-UHFFFAOYSA-N
MW334.30 g/mol
LogP2.77
Rot. Bonds4

About N-(pyridin-2-ylmethyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide

N-(pyridin-2-ylmethyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide (PubChem CID 40655464) has the molecular formula C16H13F3N4O and a molecular weight of 334.30 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
PubChem CID40655464
Molecular FormulaC16H13F3N4O
Molecular Weight334.30 g/mol
Exact Mass334.10
IUPAC NameN-(pyridin-2-ylmethyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(C(F)(F)F)nc2ccccc21)NCc1ccccn1
InChIInChI=1S/C16H13F3N4O/c17-16(18,19)15-22-12-6-1-2-7-13(12)23(15)10-14(24)21-9-11-5-3-4-8-20-11/h1-8H,9-10H2,(H,21,24)
InChIKeyQHCCJMYCTNBEPP-UHFFFAOYSA-N
XLogP2.77
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-prop-2-enyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 4669088
N-(3-methyl-2-pyridinyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 39951951
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
N-(3-phenylpropyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 27647017
N-(1-adamantyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 27650234
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
[2-(benzylamino)-2-oxoethyl] 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate
CID 4779634
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'-but-1-en-2-yl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetohydrazide
CID 7043891

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-(pyridin-2-ylmethyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide (CID 40655464) is N-(pyridin-2-ylmethyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-(pyridin-2-ylmethyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-(pyridin-2-ylmethyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide is O=C(Cn1c(C(F)(F)F)nc2ccccc21)NCc1ccccn1.
What is the InChIKey of N-(pyridin-2-ylmethyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The InChIKey is QHCCJMYCTNBEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4O/c17-16(18,19)15-22-12-6-1-2-7-13(12)23(15)10-14(24)21-9-11-5-3-4-8-20-11/h1-8H,9-10H2,(H,21,24).
What are the key properties of N-(pyridin-2-ylmethyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
N-(pyridin-2-ylmethyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide has a molecular weight of 334.30 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 40655464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).