3-[1-[2-[(4,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]acetyl]piperidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

C20H24F2N4O3S — CID 3567068

IUPAC3-[1-[2-[(4,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]acetyl]piperidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)C1COC(=O)N1C1CCN(C(=O)CSc2nc3c(F)cc(F)cc3[nH]2)CC1
InChIInChI=1S/C20H24F2N4O3S/c1-11(2)16-9-29-20(28)26(16)13-3-5-25(6-4-13)17(27)10-30-19-23-15-8-12(21)7-14(22)18(15)24-19/h7-8,11,13,16H,3-6,9-10H2,1-2H3,(H,23,24)
InChIKeyJOZGMPVPGIWTFO-UHFFFAOYSA-N
MW438.50 g/mol
LogP3.40
Rot. Bonds5

About 3-[1-[2-[(4,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]acetyl]piperidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

3-[1-[2-[(4,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]acetyl]piperidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 3567068) has the molecular formula C20H24F2N4O3S and a molecular weight of 438.50 g/mol. Its IUPAC name is 3-[1-[2-[(4,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]acetyl]piperidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-[2-[(4,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]acetyl]piperidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID3567068
Molecular FormulaC20H24F2N4O3S
Molecular Weight438.50 g/mol
Exact Mass438.15
IUPAC Name3-[1-[2-[(4,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]acetyl]piperidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)C1COC(=O)N1C1CCN(C(=O)CSc2nc3c(F)cc(F)cc3[nH]2)CC1
InChIInChI=1S/C20H24F2N4O3S/c1-11(2)16-9-29-20(28)26(16)13-3-5-25(6-4-13)17(27)10-30-19-23-15-8-12(21)7-14(22)18(15)24-19/h7-8,11,13,16H,3-6,9-10H2,1-2H3,(H,23,24)
InChIKeyJOZGMPVPGIWTFO-UHFFFAOYSA-N
XLogP3.40
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.50
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-[(4,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]acetyl]piperidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-[2-[(4,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]acetyl]piperidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 3567068) is 3-[1-[2-[(4,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]acetyl]piperidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-[2-[(4,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]acetyl]piperidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-[2-[(4,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]acetyl]piperidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)C1COC(=O)N1C1CCN(C(=O)CSc2nc3c(F)cc(F)cc3[nH]2)CC1.
What is the InChIKey of 3-[1-[2-[(4,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]acetyl]piperidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is JOZGMPVPGIWTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N4O3S/c1-11(2)16-9-29-20(28)26(16)13-3-5-25(6-4-13)17(27)10-30-19-23-15-8-12(21)7-14(22)18(15)24-19/h7-8,11,13,16H,3-6,9-10H2,1-2H3,(H,23,24).
What are the key properties of 3-[1-[2-[(4,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]acetyl]piperidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
3-[1-[2-[(4,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]acetyl]piperidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 438.50 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-[(4,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]acetyl]piperidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 3567068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).