2-methoxy-1-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrrolidin-1-yl]ethanone

C15H16F3N3O2 — CID 75131750

IUPAC2-methoxy-1-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrrolidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC(c2nc3ccc(C(F)(F)F)cc3[nH]2)C1
InChIInChI=1S/C15H16F3N3O2/c1-23-8-13(22)21-5-4-9(7-21)14-19-11-3-2-10(15(16,17)18)6-12(11)20-14/h2-3,6,9H,4-5,7-8H2,1H3,(H,19,20)
InChIKeyQCDFBKDPPLBCSM-UHFFFAOYSA-N
MW327.31 g/mol
LogP2.54
Rot. Bonds3

About 2-methoxy-1-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrrolidin-1-yl]ethanone

2-methoxy-1-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrrolidin-1-yl]ethanone (PubChem CID 75131750) has the molecular formula C15H16F3N3O2 and a molecular weight of 327.31 g/mol. Its IUPAC name is 2-methoxy-1-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrrolidin-1-yl]ethanone
PubChem CID75131750
Molecular FormulaC15H16F3N3O2
Molecular Weight327.31 g/mol
Exact Mass327.12
IUPAC Name2-methoxy-1-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrrolidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC(c2nc3ccc(C(F)(F)F)cc3[nH]2)C1
InChIInChI=1S/C15H16F3N3O2/c1-23-8-13(22)21-5-4-9(7-21)14-19-11-3-2-10(15(16,17)18)6-12(11)20-14/h2-3,6,9H,4-5,7-8H2,1H3,(H,19,20)
InChIKeyQCDFBKDPPLBCSM-UHFFFAOYSA-N
XLogP2.54
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropyl-[(3S)-3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrrolidin-1-yl]methanone
CID 51137017
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-methoxyethanone
CID 47140725
2-methoxy-1-[4-[5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]piperidin-1-yl]ethanone
CID 95850242
1-[3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-methylsulfanylethanone
CID 47091224
6-fluoro-2-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1H-benzimidazole
CID 75615105
[(3S)-3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]cyclohexyl]carbamic acid
CID 68552156
2-[(3S)-1-acetylpyrrolidin-3-yl]-3H-benzimidazole-5-carbonitrile
CID 51137025
1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-(3-methylphenoxy)ethanone
CID 108733624
2-methoxy-1-[(3R)-3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]ethanone
CID 93223657
2-methoxy-1-[(3S)-3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]ethanone
CID 93223656
[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-piperidin-1-ylmethanone
CID 1452977
1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]butan-1-one
CID 108733576

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrrolidin-1-yl]ethanone (CID 75131750) is 2-methoxy-1-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrrolidin-1-yl]ethanone is COCC(=O)N1CCC(c2nc3ccc(C(F)(F)F)cc3[nH]2)C1.
What is the InChIKey of 2-methoxy-1-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrrolidin-1-yl]ethanone?
The InChIKey is QCDFBKDPPLBCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O2/c1-23-8-13(22)21-5-4-9(7-21)14-19-11-3-2-10(15(16,17)18)6-12(11)20-14/h2-3,6,9H,4-5,7-8H2,1H3,(H,19,20).
What are the key properties of 2-methoxy-1-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrrolidin-1-yl]ethanone?
2-methoxy-1-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 327.31 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 75131750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).