N-cyclopropyl-N-(3-methylbutyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide

C18H22F3N3O — CID 55572138

IUPACN-cyclopropyl-N-(3-methylbutyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
SMILESCC(C)CCN(C(=O)Cn1c(C(F)(F)F)nc2ccccc21)C1CC1
InChIInChI=1S/C18H22F3N3O/c1-12(2)9-10-23(13-7-8-13)16(25)11-24-15-6-4-3-5-14(15)22-17(24)18(19,20)21/h3-6,12-13H,7-11H2,1-2H3
InChIKeyAHVAPKWKYFPLQJ-UHFFFAOYSA-N
MW353.39 g/mol
LogP4.09
Rot. Bonds6

About N-cyclopropyl-N-(3-methylbutyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide

N-cyclopropyl-N-(3-methylbutyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide (PubChem CID 55572138) has the molecular formula C18H22F3N3O and a molecular weight of 353.39 g/mol. Its IUPAC name is N-cyclopropyl-N-(3-methylbutyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(3-methylbutyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
PubChem CID55572138
Molecular FormulaC18H22F3N3O
Molecular Weight353.39 g/mol
Exact Mass353.17
IUPAC NameN-cyclopropyl-N-(3-methylbutyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
SMILESCC(C)CCN(C(=O)Cn1c(C(F)(F)F)nc2ccccc21)C1CC1
InChIInChI=1S/C18H22F3N3O/c1-12(2)9-10-23(13-7-8-13)16(25)11-24-15-6-4-3-5-14(15)22-17(24)18(19,20)21/h3-6,12-13H,7-11H2,1-2H3
InChIKeyAHVAPKWKYFPLQJ-UHFFFAOYSA-N
XLogP4.09
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 977171
3-methyl-N'-[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]butanehydrazide
CID 9417778
N-ethyl-N-(2-methylprop-2-enyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 112787939
1-pyrrolidin-1-yl-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanone
CID 1477753
N-(1-methylcyclobutyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 46970987
(2S)-3-methyl-2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]butanoic acid
CID 119360208
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
1-[(4aR,8R,8aS)-8-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanone
CID 99845654
(2S)-1-methyl-4-[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]piperazine-2-carboxamide
CID 124984378
N-(2-aminoethyl)-N-(2-phenylethyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide;hydrochloride
CID 120885487
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 26706070

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(3-methylbutyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-N-(3-methylbutyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide (CID 55572138) is N-cyclopropyl-N-(3-methylbutyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-N-(3-methylbutyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-N-(3-methylbutyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide is CC(C)CCN(C(=O)Cn1c(C(F)(F)F)nc2ccccc21)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(3-methylbutyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The InChIKey is AHVAPKWKYFPLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N3O/c1-12(2)9-10-23(13-7-8-13)16(25)11-24-15-6-4-3-5-14(15)22-17(24)18(19,20)21/h3-6,12-13H,7-11H2,1-2H3.
What are the key properties of N-cyclopropyl-N-(3-methylbutyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
N-cyclopropyl-N-(3-methylbutyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide has a molecular weight of 353.39 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(3-methylbutyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 55572138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).