3-(3-methylphenyl)-5-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one

C24H28N4O3 — CID 67940525

IUPAC3-(3-methylphenyl)-5-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one
SMILESCc1cccc(N2CC(CCN3CCC(n4c(=O)[nH]c5ccccc54)CC3)OC2=O)c1
InChIInChI=1S/C24H28N4O3/c1-17-5-4-6-19(15-17)27-16-20(31-24(27)30)11-14-26-12-9-18(10-13-26)28-22-8-3-2-7-21(22)25-23(28)29/h2-8,15,18,20H,9-14,16H2,1H3,(H,25,29)
InChIKeyCUYCMTRZMPIKFD-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.69
Rot. Bonds5

About 3-(3-methylphenyl)-5-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one

3-(3-methylphenyl)-5-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one (PubChem CID 67940525) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 3-(3-methylphenyl)-5-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(3-methylphenyl)-5-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one
PubChem CID67940525
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name3-(3-methylphenyl)-5-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one
SMILESCc1cccc(N2CC(CCN3CCC(n4c(=O)[nH]c5ccccc54)CC3)OC2=O)c1
InChIInChI=1S/C24H28N4O3/c1-17-5-4-6-19(15-17)27-16-20(31-24(27)30)11-14-26-12-9-18(10-13-26)28-22-8-3-2-7-21(22)25-23(28)29/h2-8,15,18,20H,9-14,16H2,1H3,(H,25,29)
InChIKeyCUYCMTRZMPIKFD-UHFFFAOYSA-N
XLogP3.69
TPSA70.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-5-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-(3-methylphenyl)-5-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one (CID 67940525) is 3-(3-methylphenyl)-5-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(3-methylphenyl)-5-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(3-methylphenyl)-5-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one is Cc1cccc(N2CC(CCN3CCC(n4c(=O)[nH]c5ccccc54)CC3)OC2=O)c1.
What is the InChIKey of 3-(3-methylphenyl)-5-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one?
The InChIKey is CUYCMTRZMPIKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-17-5-4-6-19(15-17)27-16-20(31-24(27)30)11-14-26-12-9-18(10-13-26)28-22-8-3-2-7-21(22)25-23(28)29/h2-8,15,18,20H,9-14,16H2,1H3,(H,25,29).
What are the key properties of 3-(3-methylphenyl)-5-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one?
3-(3-methylphenyl)-5-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one has a molecular weight of 420.51 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-5-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 67940525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).