3-(3H-benzimidazol-5-yl)-4-(3-piperidin-1-ylphenyl)-1,3-oxazolidin-2-one

C21H22N4O2 — CID 67036307

IUPAC3-(3H-benzimidazol-5-yl)-4-(3-piperidin-1-ylphenyl)-1,3-oxazolidin-2-one
SMILESO=C1OCC(c2cccc(N3CCCCC3)c2)N1c1ccc2nc[nH]c2c1
InChIInChI=1S/C21H22N4O2/c26-21-25(17-7-8-18-19(12-17)23-14-22-18)20(13-27-21)15-5-4-6-16(11-15)24-9-2-1-3-10-24/h4-8,11-12,14,20H,1-3,9-10,13H2,(H,22,23)
InChIKeyWWZUYLAZWSCSRE-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.25
Rot. Bonds3

About 3-(3H-benzimidazol-5-yl)-4-(3-piperidin-1-ylphenyl)-1,3-oxazolidin-2-one

3-(3H-benzimidazol-5-yl)-4-(3-piperidin-1-ylphenyl)-1,3-oxazolidin-2-one (PubChem CID 67036307) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 3-(3H-benzimidazol-5-yl)-4-(3-piperidin-1-ylphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(3H-benzimidazol-5-yl)-4-(3-piperidin-1-ylphenyl)-1,3-oxazolidin-2-one
PubChem CID67036307
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name3-(3H-benzimidazol-5-yl)-4-(3-piperidin-1-ylphenyl)-1,3-oxazolidin-2-one
SMILESO=C1OCC(c2cccc(N3CCCCC3)c2)N1c1ccc2nc[nH]c2c1
InChIInChI=1S/C21H22N4O2/c26-21-25(17-7-8-18-19(12-17)23-14-22-18)20(13-27-21)15-5-4-6-16(11-15)24-9-2-1-3-10-24/h4-8,11-12,14,20H,1-3,9-10,13H2,(H,22,23)
InChIKeyWWZUYLAZWSCSRE-UHFFFAOYSA-N
XLogP4.25
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3H-benzimidazol-5-yl)-4-(3-piperidin-1-ylphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(3H-benzimidazol-5-yl)-4-(3-piperidin-1-ylphenyl)-1,3-oxazolidin-2-one (CID 67036307) is 3-(3H-benzimidazol-5-yl)-4-(3-piperidin-1-ylphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(3H-benzimidazol-5-yl)-4-(3-piperidin-1-ylphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(3H-benzimidazol-5-yl)-4-(3-piperidin-1-ylphenyl)-1,3-oxazolidin-2-one is O=C1OCC(c2cccc(N3CCCCC3)c2)N1c1ccc2nc[nH]c2c1.
What is the InChIKey of 3-(3H-benzimidazol-5-yl)-4-(3-piperidin-1-ylphenyl)-1,3-oxazolidin-2-one?
The InChIKey is WWZUYLAZWSCSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c26-21-25(17-7-8-18-19(12-17)23-14-22-18)20(13-27-21)15-5-4-6-16(11-15)24-9-2-1-3-10-24/h4-8,11-12,14,20H,1-3,9-10,13H2,(H,22,23).
What are the key properties of 3-(3H-benzimidazol-5-yl)-4-(3-piperidin-1-ylphenyl)-1,3-oxazolidin-2-one?
3-(3H-benzimidazol-5-yl)-4-(3-piperidin-1-ylphenyl)-1,3-oxazolidin-2-one has a molecular weight of 362.43 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3H-benzimidazol-5-yl)-4-(3-piperidin-1-ylphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 67036307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).