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

C25H23N3O3 — CID 51030031

IUPAC3-(3H-benzimidazol-5-yl)-5-phenyl-4-(4-propoxyphenyl)-1,3-oxazolidin-2-one
SMILESCCCOc1ccc(C2C(c3ccccc3)OC(=O)N2c2ccc3nc[nH]c3c2)cc1
InChIInChI=1S/C25H23N3O3/c1-2-14-30-20-11-8-17(9-12-20)23-24(18-6-4-3-5-7-18)31-25(29)28(23)19-10-13-21-22(15-19)27-16-26-21/h3-13,15-16,23-24H,2,14H2,1H3,(H,26,27)
InChIKeyBPNUFMWEIQORLP-UHFFFAOYSA-N
MW413.48 g/mol
LogP5.79
Rot. Bonds6

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

3-(3H-benzimidazol-5-yl)-5-phenyl-4-(4-propoxyphenyl)-1,3-oxazolidin-2-one (PubChem CID 51030031) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is 3-(3H-benzimidazol-5-yl)-5-phenyl-4-(4-propoxyphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(3H-benzimidazol-5-yl)-5-phenyl-4-(4-propoxyphenyl)-1,3-oxazolidin-2-one
PubChem CID51030031
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC Name3-(3H-benzimidazol-5-yl)-5-phenyl-4-(4-propoxyphenyl)-1,3-oxazolidin-2-one
SMILESCCCOc1ccc(C2C(c3ccccc3)OC(=O)N2c2ccc3nc[nH]c3c2)cc1
InChIInChI=1S/C25H23N3O3/c1-2-14-30-20-11-8-17(9-12-20)23-24(18-6-4-3-5-7-18)31-25(29)28(23)19-10-13-21-22(15-19)27-16-26-21/h3-13,15-16,23-24H,2,14H2,1H3,(H,26,27)
InChIKeyBPNUFMWEIQORLP-UHFFFAOYSA-N
XLogP5.79
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.48
LogP ≤ 55.79
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)-5-phenyl-4-(4-propoxyphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(3H-benzimidazol-5-yl)-5-phenyl-4-(4-propoxyphenyl)-1,3-oxazolidin-2-one (CID 51030031) is 3-(3H-benzimidazol-5-yl)-5-phenyl-4-(4-propoxyphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(3H-benzimidazol-5-yl)-5-phenyl-4-(4-propoxyphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(3H-benzimidazol-5-yl)-5-phenyl-4-(4-propoxyphenyl)-1,3-oxazolidin-2-one is CCCOc1ccc(C2C(c3ccccc3)OC(=O)N2c2ccc3nc[nH]c3c2)cc1.
What is the InChIKey of 3-(3H-benzimidazol-5-yl)-5-phenyl-4-(4-propoxyphenyl)-1,3-oxazolidin-2-one?
The InChIKey is BPNUFMWEIQORLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-2-14-30-20-11-8-17(9-12-20)23-24(18-6-4-3-5-7-18)31-25(29)28(23)19-10-13-21-22(15-19)27-16-26-21/h3-13,15-16,23-24H,2,14H2,1H3,(H,26,27).
What are the key properties of 3-(3H-benzimidazol-5-yl)-5-phenyl-4-(4-propoxyphenyl)-1,3-oxazolidin-2-one?
3-(3H-benzimidazol-5-yl)-5-phenyl-4-(4-propoxyphenyl)-1,3-oxazolidin-2-one has a molecular weight of 413.48 g/mol, XLogP of 5.79, 6 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)-5-phenyl-4-(4-propoxyphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 51030031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).