3-(3H-benzimidazol-5-yl)-4-[4-(2-piperazin-1-ylethoxy)phenyl]-1,3-oxazolidin-2-one

C22H25N5O3 — CID 67117327

IUPAC3-(3H-benzimidazol-5-yl)-4-[4-(2-piperazin-1-ylethoxy)phenyl]-1,3-oxazolidin-2-one
SMILESO=C1OCC(c2ccc(OCCN3CCNCC3)cc2)N1c1ccc2nc[nH]c2c1
InChIInChI=1S/C22H25N5O3/c28-22-27(17-3-6-19-20(13-17)25-15-24-19)21(14-30-22)16-1-4-18(5-2-16)29-12-11-26-9-7-23-8-10-26/h1-6,13,15,21,23H,7-12,14H2,(H,24,25)
InChIKeyCFBAEYVNLWKPKT-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.54
Rot. Bonds6

About 3-(3H-benzimidazol-5-yl)-4-[4-(2-piperazin-1-ylethoxy)phenyl]-1,3-oxazolidin-2-one

3-(3H-benzimidazol-5-yl)-4-[4-(2-piperazin-1-ylethoxy)phenyl]-1,3-oxazolidin-2-one (PubChem CID 67117327) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is 3-(3H-benzimidazol-5-yl)-4-[4-(2-piperazin-1-ylethoxy)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(3H-benzimidazol-5-yl)-4-[4-(2-piperazin-1-ylethoxy)phenyl]-1,3-oxazolidin-2-one
PubChem CID67117327
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC Name3-(3H-benzimidazol-5-yl)-4-[4-(2-piperazin-1-ylethoxy)phenyl]-1,3-oxazolidin-2-one
SMILESO=C1OCC(c2ccc(OCCN3CCNCC3)cc2)N1c1ccc2nc[nH]c2c1
InChIInChI=1S/C22H25N5O3/c28-22-27(17-3-6-19-20(13-17)25-15-24-19)21(14-30-22)16-1-4-18(5-2-16)29-12-11-26-9-7-23-8-10-26/h1-6,13,15,21,23H,7-12,14H2,(H,24,25)
InChIKeyCFBAEYVNLWKPKT-UHFFFAOYSA-N
XLogP2.54
TPSA82.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3H-benzimidazol-5-yl)-4-[4-(2-piperazin-1-ylethoxy)phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-(3H-benzimidazol-5-yl)-4-[4-(2-piperazin-1-ylethoxy)phenyl]-1,3-oxazolidin-2-one (CID 67117327) is 3-(3H-benzimidazol-5-yl)-4-[4-(2-piperazin-1-ylethoxy)phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(3H-benzimidazol-5-yl)-4-[4-(2-piperazin-1-ylethoxy)phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(3H-benzimidazol-5-yl)-4-[4-(2-piperazin-1-ylethoxy)phenyl]-1,3-oxazolidin-2-one is O=C1OCC(c2ccc(OCCN3CCNCC3)cc2)N1c1ccc2nc[nH]c2c1.
What is the InChIKey of 3-(3H-benzimidazol-5-yl)-4-[4-(2-piperazin-1-ylethoxy)phenyl]-1,3-oxazolidin-2-one?
The InChIKey is CFBAEYVNLWKPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c28-22-27(17-3-6-19-20(13-17)25-15-24-19)21(14-30-22)16-1-4-18(5-2-16)29-12-11-26-9-7-23-8-10-26/h1-6,13,15,21,23H,7-12,14H2,(H,24,25).
What are the key properties of 3-(3H-benzimidazol-5-yl)-4-[4-(2-piperazin-1-ylethoxy)phenyl]-1,3-oxazolidin-2-one?
3-(3H-benzimidazol-5-yl)-4-[4-(2-piperazin-1-ylethoxy)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 407.47 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3H-benzimidazol-5-yl)-4-[4-(2-piperazin-1-ylethoxy)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 67117327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).