2-[(3S)-3-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]oxolan-3-yl]acetic acid

C16H16F3N3O4 — CID 129469318

IUPAC2-[(3S)-3-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]oxolan-3-yl]acetic acid
SMILESO=C(O)C[C@@]1(NC(=O)Cn2c(C(F)(F)F)nc3ccccc32)CCOC1
InChIInChI=1S/C16H16F3N3O4/c17-16(18,19)14-20-10-3-1-2-4-11(10)22(14)8-12(23)21-15(7-13(24)25)5-6-26-9-15/h1-4H,5-9H2,(H,21,23)(H,24,25)/t15-/m0/s1
InChIKeyWPGKFCCLIDVTSS-HNNXBMFYSA-N
MW371.32 g/mol
LogP1.81
Rot. Bonds5

About 2-[(3S)-3-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]oxolan-3-yl]acetic acid

2-[(3S)-3-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]oxolan-3-yl]acetic acid (PubChem CID 129469318) has the molecular formula C16H16F3N3O4 and a molecular weight of 371.32 g/mol. Its IUPAC name is 2-[(3S)-3-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]oxolan-3-yl]acetic acid.

Molecular Properties

Compound Name2-[(3S)-3-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]oxolan-3-yl]acetic acid
PubChem CID129469318
Molecular FormulaC16H16F3N3O4
Molecular Weight371.32 g/mol
Exact Mass371.11
IUPAC Name2-[(3S)-3-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]oxolan-3-yl]acetic acid
SMILESO=C(O)C[C@@]1(NC(=O)Cn2c(C(F)(F)F)nc3ccccc32)CCOC1
InChIInChI=1S/C16H16F3N3O4/c17-16(18,19)14-20-10-3-1-2-4-11(10)22(14)8-12(23)21-15(7-13(24)25)5-6-26-9-15/h1-4H,5-9H2,(H,21,23)(H,24,25)/t15-/m0/s1
InChIKeyWPGKFCCLIDVTSS-HNNXBMFYSA-N
XLogP1.81
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.32
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-methylcyclobutyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 46970987
N-(1-adamantyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 27650234
N-(2-morpholin-4-ylphenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 4878936
2-[1-[[2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetyl]amino]cyclobutyl]acetic acid
CID 120522002
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
2-[4-[[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]oxan-4-yl]acetic acid
CID 119214905
N-[2-(difluoromethylsulfanyl)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 40723417
N-[(2R)-oxan-2-yl]oxy-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 94824382
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 26880814
N-prop-2-enyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 4669088
N-(pyridin-2-ylmethyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 40655464

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]oxolan-3-yl]acetic acid?
The IUPAC name of 2-[(3S)-3-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]oxolan-3-yl]acetic acid (CID 129469318) is 2-[(3S)-3-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]oxolan-3-yl]acetic acid.
What is the SMILES notation for 2-[(3S)-3-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]oxolan-3-yl]acetic acid?
The canonical SMILES for 2-[(3S)-3-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]oxolan-3-yl]acetic acid is O=C(O)C[C@@]1(NC(=O)Cn2c(C(F)(F)F)nc3ccccc32)CCOC1.
What is the InChIKey of 2-[(3S)-3-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]oxolan-3-yl]acetic acid?
The InChIKey is WPGKFCCLIDVTSS-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H16F3N3O4/c17-16(18,19)14-20-10-3-1-2-4-11(10)22(14)8-12(23)21-15(7-13(24)25)5-6-26-9-15/h1-4H,5-9H2,(H,21,23)(H,24,25)/t15-/m0/s1.
What are the key properties of 2-[(3S)-3-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]oxolan-3-yl]acetic acid?
2-[(3S)-3-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]oxolan-3-yl]acetic acid has a molecular weight of 371.32 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]oxolan-3-yl]acetic acid is sourced from PubChem (CID 129469318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).