(4R,6S)-6-[1-(benzimidazol-1-yl)-2-pyridin-2-ylethyl]-4-hydroxyoxan-2-one

C19H19N3O3 — CID 56995182

IUPAC(4R,6S)-6-[1-(benzimidazol-1-yl)-2-pyridin-2-ylethyl]-4-hydroxyoxan-2-one
SMILESO=C1C[C@H](O)C[C@@H](C(Cc2ccccn2)n2cnc3ccccc32)O1
InChIInChI=1S/C19H19N3O3/c23-14-10-18(25-19(24)11-14)17(9-13-5-3-4-8-20-13)22-12-21-15-6-1-2-7-16(15)22/h1-8,12,14,17-18,23H,9-11H2/t14-,17?,18+/m1/s1
InChIKeyXFJUFMJUFWQQAM-CFNGDTMJSA-N
MW337.38 g/mol
LogP2.28
Rot. Bonds4

About (4R,6S)-6-[1-(benzimidazol-1-yl)-2-pyridin-2-ylethyl]-4-hydroxyoxan-2-one

(4R,6S)-6-[1-(benzimidazol-1-yl)-2-pyridin-2-ylethyl]-4-hydroxyoxan-2-one (PubChem CID 56995182) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is (4R,6S)-6-[1-(benzimidazol-1-yl)-2-pyridin-2-ylethyl]-4-hydroxyoxan-2-one.

Molecular Properties

Compound Name(4R,6S)-6-[1-(benzimidazol-1-yl)-2-pyridin-2-ylethyl]-4-hydroxyoxan-2-one
PubChem CID56995182
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name(4R,6S)-6-[1-(benzimidazol-1-yl)-2-pyridin-2-ylethyl]-4-hydroxyoxan-2-one
SMILESO=C1C[C@H](O)C[C@@H](C(Cc2ccccn2)n2cnc3ccccc32)O1
InChIInChI=1S/C19H19N3O3/c23-14-10-18(25-19(24)11-14)17(9-13-5-3-4-8-20-13)22-12-21-15-6-1-2-7-16(15)22/h1-8,12,14,17-18,23H,9-11H2/t14-,17?,18+/m1/s1
InChIKeyXFJUFMJUFWQQAM-CFNGDTMJSA-N
XLogP2.28
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4R,6S)-6-[1-(benzimidazol-1-yl)-2-pyridin-2-ylethyl]-4-hydroxyoxan-2-one?
The IUPAC name of (4R,6S)-6-[1-(benzimidazol-1-yl)-2-pyridin-2-ylethyl]-4-hydroxyoxan-2-one (CID 56995182) is (4R,6S)-6-[1-(benzimidazol-1-yl)-2-pyridin-2-ylethyl]-4-hydroxyoxan-2-one.
What is the SMILES notation for (4R,6S)-6-[1-(benzimidazol-1-yl)-2-pyridin-2-ylethyl]-4-hydroxyoxan-2-one?
The canonical SMILES for (4R,6S)-6-[1-(benzimidazol-1-yl)-2-pyridin-2-ylethyl]-4-hydroxyoxan-2-one is O=C1C[C@H](O)C[C@@H](C(Cc2ccccn2)n2cnc3ccccc32)O1.
What is the InChIKey of (4R,6S)-6-[1-(benzimidazol-1-yl)-2-pyridin-2-ylethyl]-4-hydroxyoxan-2-one?
The InChIKey is XFJUFMJUFWQQAM-CFNGDTMJSA-N. The full InChI is InChI=1S/C19H19N3O3/c23-14-10-18(25-19(24)11-14)17(9-13-5-3-4-8-20-13)22-12-21-15-6-1-2-7-16(15)22/h1-8,12,14,17-18,23H,9-11H2/t14-,17?,18+/m1/s1.
What are the key properties of (4R,6S)-6-[1-(benzimidazol-1-yl)-2-pyridin-2-ylethyl]-4-hydroxyoxan-2-one?
(4R,6S)-6-[1-(benzimidazol-1-yl)-2-pyridin-2-ylethyl]-4-hydroxyoxan-2-one has a molecular weight of 337.38 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6S)-6-[1-(benzimidazol-1-yl)-2-pyridin-2-ylethyl]-4-hydroxyoxan-2-one is sourced from PubChem (CID 56995182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).