N-[(2S)-1-(benzimidazol-1-yl)-3-hydroxy-2-methylpropan-2-yl]-2-(furan-2-yl)acetamide

C17H19N3O3 — CID 164632552

IUPACN-[(2S)-1-(benzimidazol-1-yl)-3-hydroxy-2-methylpropan-2-yl]-2-(furan-2-yl)acetamide
SMILESC[C@@](CO)(Cn1cnc2ccccc21)NC(=O)Cc1ccco1
InChIInChI=1S/C17H19N3O3/c1-17(11-21,19-16(22)9-13-5-4-8-23-13)10-20-12-18-14-6-2-3-7-15(14)20/h2-8,12,21H,9-11H2,1H3,(H,19,22)/t17-/m0/s1
InChIKeyJRKPURSZTXJKIH-KRWDZBQOSA-N
MW313.36 g/mol
LogP1.74
Rot. Bonds6

About N-[(2S)-1-(benzimidazol-1-yl)-3-hydroxy-2-methylpropan-2-yl]-2-(furan-2-yl)acetamide

N-[(2S)-1-(benzimidazol-1-yl)-3-hydroxy-2-methylpropan-2-yl]-2-(furan-2-yl)acetamide (PubChem CID 164632552) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[(2S)-1-(benzimidazol-1-yl)-3-hydroxy-2-methylpropan-2-yl]-2-(furan-2-yl)acetamide.

Molecular Properties

Compound NameN-[(2S)-1-(benzimidazol-1-yl)-3-hydroxy-2-methylpropan-2-yl]-2-(furan-2-yl)acetamide
PubChem CID164632552
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-[(2S)-1-(benzimidazol-1-yl)-3-hydroxy-2-methylpropan-2-yl]-2-(furan-2-yl)acetamide
SMILESC[C@@](CO)(Cn1cnc2ccccc21)NC(=O)Cc1ccco1
InChIInChI=1S/C17H19N3O3/c1-17(11-21,19-16(22)9-13-5-4-8-23-13)10-20-12-18-14-6-2-3-7-15(14)20/h2-8,12,21H,9-11H2,1H3,(H,19,22)/t17-/m0/s1
InChIKeyJRKPURSZTXJKIH-KRWDZBQOSA-N
XLogP1.74
TPSA80.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(benzimidazol-1-yl)-3-hydroxy-2-methylpropan-2-yl]-2-(furan-2-yl)acetamide?
The IUPAC name of N-[(2S)-1-(benzimidazol-1-yl)-3-hydroxy-2-methylpropan-2-yl]-2-(furan-2-yl)acetamide (CID 164632552) is N-[(2S)-1-(benzimidazol-1-yl)-3-hydroxy-2-methylpropan-2-yl]-2-(furan-2-yl)acetamide.
What is the SMILES notation for N-[(2S)-1-(benzimidazol-1-yl)-3-hydroxy-2-methylpropan-2-yl]-2-(furan-2-yl)acetamide?
The canonical SMILES for N-[(2S)-1-(benzimidazol-1-yl)-3-hydroxy-2-methylpropan-2-yl]-2-(furan-2-yl)acetamide is C[C@@](CO)(Cn1cnc2ccccc21)NC(=O)Cc1ccco1.
What is the InChIKey of N-[(2S)-1-(benzimidazol-1-yl)-3-hydroxy-2-methylpropan-2-yl]-2-(furan-2-yl)acetamide?
The InChIKey is JRKPURSZTXJKIH-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-17(11-21,19-16(22)9-13-5-4-8-23-13)10-20-12-18-14-6-2-3-7-15(14)20/h2-8,12,21H,9-11H2,1H3,(H,19,22)/t17-/m0/s1.
What are the key properties of N-[(2S)-1-(benzimidazol-1-yl)-3-hydroxy-2-methylpropan-2-yl]-2-(furan-2-yl)acetamide?
N-[(2S)-1-(benzimidazol-1-yl)-3-hydroxy-2-methylpropan-2-yl]-2-(furan-2-yl)acetamide has a molecular weight of 313.36 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(benzimidazol-1-yl)-3-hydroxy-2-methylpropan-2-yl]-2-(furan-2-yl)acetamide is sourced from PubChem (CID 164632552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).