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

C15H16F3N3O — CID 46970987

IUPACN-(1-methylcyclobutyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
SMILESCC1(NC(=O)Cn2c(C(F)(F)F)nc3ccccc32)CCC1
InChIInChI=1S/C15H16F3N3O/c1-14(7-4-8-14)20-12(22)9-21-11-6-3-2-5-10(11)19-13(21)15(16,17)18/h2-3,5-6H,4,7-9H2,1H3,(H,20,22)
InChIKeyDAYRZUXLWHIGFS-UHFFFAOYSA-N
MW311.31 g/mol
LogP3.11
Rot. Bonds3

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

N-(1-methylcyclobutyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide (PubChem CID 46970987) has the molecular formula C15H16F3N3O and a molecular weight of 311.31 g/mol. Its IUPAC name is N-(1-methylcyclobutyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-methylcyclobutyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
PubChem CID46970987
Molecular FormulaC15H16F3N3O
Molecular Weight311.31 g/mol
Exact Mass311.12
IUPAC NameN-(1-methylcyclobutyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
SMILESCC1(NC(=O)Cn2c(C(F)(F)F)nc3ccccc32)CCC1
InChIInChI=1S/C15H16F3N3O/c1-14(7-4-8-14)20-12(22)9-21-11-6-3-2-5-10(11)19-13(21)15(16,17)18/h2-3,5-6H,4,7-9H2,1H3,(H,20,22)
InChIKeyDAYRZUXLWHIGFS-UHFFFAOYSA-N
XLogP3.11
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-adamantyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 27650234
3-methyl-N'-[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]butanehydrazide
CID 9417778
2-[(3S)-3-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]oxolan-3-yl]acetic acid
CID 129469318
(2S)-3-methyl-2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]butanoic acid
CID 119360208
1-pyrrolidin-1-yl-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanone
CID 1477753
N-[2-(methylamino)propyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide;hydrochloride
CID 120832280
N'-but-1-en-2-yl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetohydrazide
CID 7043891
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 26706070
2-[2-(trifluoromethyl)benzimidazol-1-yl]-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]acetamide
CID 30602465
N-prop-2-enyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 4669088
N-cyclopropyl-2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]acetamide
CID 18163659
N-(1,1-dioxothiolan-3-yl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 24679534

Frequently Asked Questions

What is the IUPAC name of N-(1-methylcyclobutyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-(1-methylcyclobutyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide (CID 46970987) is N-(1-methylcyclobutyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-(1-methylcyclobutyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-(1-methylcyclobutyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide is CC1(NC(=O)Cn2c(C(F)(F)F)nc3ccccc32)CCC1.
What is the InChIKey of N-(1-methylcyclobutyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The InChIKey is DAYRZUXLWHIGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O/c1-14(7-4-8-14)20-12(22)9-21-11-6-3-2-5-10(11)19-13(21)15(16,17)18/h2-3,5-6H,4,7-9H2,1H3,(H,20,22).
What are the key properties of N-(1-methylcyclobutyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
N-(1-methylcyclobutyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide has a molecular weight of 311.31 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylcyclobutyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 46970987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).