N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide

C18H15F4N3O — CID 26706070

IUPACN-[(1R)-1-(4-fluorophenyl)ethyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
SMILESC[C@@H](NC(=O)Cn1c(C(F)(F)F)nc2ccccc21)c1ccc(F)cc1
InChIInChI=1S/C18H15F4N3O/c1-11(12-6-8-13(19)9-7-12)23-16(26)10-25-15-5-3-2-4-14(15)24-17(25)18(20,21)22/h2-9,11H,10H2,1H3,(H,23,26)/t11-/m1/s1
InChIKeyBOWOBHHZUWLUNX-LLVKDONJSA-N
MW365.33 g/mol
LogP4.07
Rot. Bonds4

About N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide

N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide (PubChem CID 26706070) has the molecular formula C18H15F4N3O and a molecular weight of 365.33 g/mol. Its IUPAC name is N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-fluorophenyl)ethyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
PubChem CID26706070
Molecular FormulaC18H15F4N3O
Molecular Weight365.33 g/mol
Exact Mass365.12
IUPAC NameN-[(1R)-1-(4-fluorophenyl)ethyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
SMILESC[C@@H](NC(=O)Cn1c(C(F)(F)F)nc2ccccc21)c1ccc(F)cc1
InChIInChI=1S/C18H15F4N3O/c1-11(12-6-8-13(19)9-7-12)23-16(26)10-25-15-5-3-2-4-14(15)24-17(25)18(20,21)22/h2-9,11H,10H2,1H3,(H,23,26)/t11-/m1/s1
InChIKeyBOWOBHHZUWLUNX-LLVKDONJSA-N
XLogP4.07
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.33
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-methyl-2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]butanoic acid
CID 119360208
N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 55797774
2-(benzotriazol-1-yl)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 8025586
3-methyl-N'-[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]butanehydrazide
CID 9417778
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 40829608
N-[2-(methylamino)propyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide;hydrochloride
CID 120832280
N-[1-(4-fluorophenyl)ethyl]-2-(9-oxoacridin-10-yl)acetamide
CID 46550695
N-(1-methylcyclobutyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 46970987
N-[(1R)-1-(4-ethylphenyl)ethyl]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 7755480
N-[1-(4-chlorophenyl)ethyl]-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide
CID 110882950
[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl] 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate
CID 16589154
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-[(1R)-1-(4-fluorophenyl)ethyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide (CID 26706070) is N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide is C[C@@H](NC(=O)Cn1c(C(F)(F)F)nc2ccccc21)c1ccc(F)cc1.
What is the InChIKey of N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The InChIKey is BOWOBHHZUWLUNX-LLVKDONJSA-N. The full InChI is InChI=1S/C18H15F4N3O/c1-11(12-6-8-13(19)9-7-12)23-16(26)10-25-15-5-3-2-4-14(15)24-17(25)18(20,21)22/h2-9,11H,10H2,1H3,(H,23,26)/t11-/m1/s1.
What are the key properties of N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide has a molecular weight of 365.33 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 26706070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).