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

C16H12ClN3O2 — CID 67036274

IUPAC3-(3H-benzimidazol-5-yl)-4-(4-chlorophenyl)-1,3-oxazolidin-2-one
SMILESO=C1OCC(c2ccc(Cl)cc2)N1c1ccc2nc[nH]c2c1
InChIInChI=1S/C16H12ClN3O2/c17-11-3-1-10(2-4-11)15-8-22-16(21)20(15)12-5-6-13-14(7-12)19-9-18-13/h1-7,9,15H,8H2,(H,18,19)
InChIKeyYJVABIMVWXEWGM-UHFFFAOYSA-N
MW313.74 g/mol
LogP3.91
Rot. Bonds2

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

3-(3H-benzimidazol-5-yl)-4-(4-chlorophenyl)-1,3-oxazolidin-2-one (PubChem CID 67036274) has the molecular formula C16H12ClN3O2 and a molecular weight of 313.74 g/mol. Its IUPAC name is 3-(3H-benzimidazol-5-yl)-4-(4-chlorophenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(3H-benzimidazol-5-yl)-4-(4-chlorophenyl)-1,3-oxazolidin-2-one
PubChem CID67036274
Molecular FormulaC16H12ClN3O2
Molecular Weight313.74 g/mol
Exact Mass313.06
IUPAC Name3-(3H-benzimidazol-5-yl)-4-(4-chlorophenyl)-1,3-oxazolidin-2-one
SMILESO=C1OCC(c2ccc(Cl)cc2)N1c1ccc2nc[nH]c2c1
InChIInChI=1S/C16H12ClN3O2/c17-11-3-1-10(2-4-11)15-8-22-16(21)20(15)12-5-6-13-14(7-12)19-9-18-13/h1-7,9,15H,8H2,(H,18,19)
InChIKeyYJVABIMVWXEWGM-UHFFFAOYSA-N
XLogP3.91
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.74
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3H-benzimidazol-5-yl)-4-(4-chlorophenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(3H-benzimidazol-5-yl)-4-(4-chlorophenyl)-1,3-oxazolidin-2-one (CID 67036274) is 3-(3H-benzimidazol-5-yl)-4-(4-chlorophenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(3H-benzimidazol-5-yl)-4-(4-chlorophenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(3H-benzimidazol-5-yl)-4-(4-chlorophenyl)-1,3-oxazolidin-2-one is O=C1OCC(c2ccc(Cl)cc2)N1c1ccc2nc[nH]c2c1.
What is the InChIKey of 3-(3H-benzimidazol-5-yl)-4-(4-chlorophenyl)-1,3-oxazolidin-2-one?
The InChIKey is YJVABIMVWXEWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O2/c17-11-3-1-10(2-4-11)15-8-22-16(21)20(15)12-5-6-13-14(7-12)19-9-18-13/h1-7,9,15H,8H2,(H,18,19).
What are the key properties of 3-(3H-benzimidazol-5-yl)-4-(4-chlorophenyl)-1,3-oxazolidin-2-one?
3-(3H-benzimidazol-5-yl)-4-(4-chlorophenyl)-1,3-oxazolidin-2-one has a molecular weight of 313.74 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3H-benzimidazol-5-yl)-4-(4-chlorophenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 67036274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).