5-benzyl-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]-3-[1-(4-fluorophenyl)ethyl]-1,3-oxazolidine-2,4-dione

C30H25FN4O4 — CID 78108293

IUPAC5-benzyl-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]-3-[1-(4-fluorophenyl)ethyl]-1,3-oxazolidine-2,4-dione
SMILESCc1noc(C)c1-c1ccc2nc(C3(Cc4ccccc4)OC(=O)N(C(C)c4ccc(F)cc4)C3=O)[nH]c2c1
InChIInChI=1S/C30H25FN4O4/c1-17-26(19(3)39-34-17)22-11-14-24-25(15-22)33-27(32-24)30(16-20-7-5-4-6-8-20)28(36)35(29(37)38-30)18(2)21-9-12-23(31)13-10-21/h4-15,18H,16H2,1-3H3,(H,32,33)
InChIKeyVGVGOAKZRIWAGK-UHFFFAOYSA-N
MW524.55 g/mol
LogP6.15
Rot. Bonds6

About 5-benzyl-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]-3-[1-(4-fluorophenyl)ethyl]-1,3-oxazolidine-2,4-dione

5-benzyl-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]-3-[1-(4-fluorophenyl)ethyl]-1,3-oxazolidine-2,4-dione (PubChem CID 78108293) has the molecular formula C30H25FN4O4 and a molecular weight of 524.55 g/mol. Its IUPAC name is 5-benzyl-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]-3-[1-(4-fluorophenyl)ethyl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name5-benzyl-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]-3-[1-(4-fluorophenyl)ethyl]-1,3-oxazolidine-2,4-dione
PubChem CID78108293
Molecular FormulaC30H25FN4O4
Molecular Weight524.55 g/mol
Exact Mass524.19
IUPAC Name5-benzyl-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]-3-[1-(4-fluorophenyl)ethyl]-1,3-oxazolidine-2,4-dione
SMILESCc1noc(C)c1-c1ccc2nc(C3(Cc4ccccc4)OC(=O)N(C(C)c4ccc(F)cc4)C3=O)[nH]c2c1
InChIInChI=1S/C30H25FN4O4/c1-17-26(19(3)39-34-17)22-11-14-24-25(15-22)33-27(32-24)30(16-20-7-5-4-6-8-20)28(36)35(29(37)38-30)18(2)21-9-12-23(31)13-10-21/h4-15,18H,16H2,1-3H3,(H,32,33)
InChIKeyVGVGOAKZRIWAGK-UHFFFAOYSA-N
XLogP6.15
TPSA101.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.55
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]-3-[1-(4-fluorophenyl)ethyl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 5-benzyl-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]-3-[1-(4-fluorophenyl)ethyl]-1,3-oxazolidine-2,4-dione (CID 78108293) is 5-benzyl-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]-3-[1-(4-fluorophenyl)ethyl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 5-benzyl-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]-3-[1-(4-fluorophenyl)ethyl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 5-benzyl-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]-3-[1-(4-fluorophenyl)ethyl]-1,3-oxazolidine-2,4-dione is Cc1noc(C)c1-c1ccc2nc(C3(Cc4ccccc4)OC(=O)N(C(C)c4ccc(F)cc4)C3=O)[nH]c2c1.
What is the InChIKey of 5-benzyl-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]-3-[1-(4-fluorophenyl)ethyl]-1,3-oxazolidine-2,4-dione?
The InChIKey is VGVGOAKZRIWAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25FN4O4/c1-17-26(19(3)39-34-17)22-11-14-24-25(15-22)33-27(32-24)30(16-20-7-5-4-6-8-20)28(36)35(29(37)38-30)18(2)21-9-12-23(31)13-10-21/h4-15,18H,16H2,1-3H3,(H,32,33).
What are the key properties of 5-benzyl-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]-3-[1-(4-fluorophenyl)ethyl]-1,3-oxazolidine-2,4-dione?
5-benzyl-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]-3-[1-(4-fluorophenyl)ethyl]-1,3-oxazolidine-2,4-dione has a molecular weight of 524.55 g/mol, XLogP of 6.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]-3-[1-(4-fluorophenyl)ethyl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 78108293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).