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

C30H23FN4O3 — CID 71550242

IUPAC(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-(6-pyridin-3-yl-1H-benzimidazol-2-yl)-1,3-oxazolidine-2,4-dione
SMILESC[C@H](c1ccc(F)cc1)N1C(=O)O[C@](Cc2ccccc2)(c2nc3ccc(-c4cccnc4)cc3[nH]2)C1=O
InChIInChI=1S/C30H23FN4O3/c1-19(21-9-12-24(31)13-10-21)35-28(36)30(38-29(35)37,17-20-6-3-2-4-7-20)27-33-25-14-11-22(16-26(25)34-27)23-8-5-15-32-18-23/h2-16,18-19H,17H2,1H3,(H,33,34)/t19-,30-/m1/s1
InChIKeyQZHFQEFAPKPMGA-HZAQMHFWSA-N
MW506.54 g/mol
LogP5.94
Rot. Bonds6

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

(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-(6-pyridin-3-yl-1H-benzimidazol-2-yl)-1,3-oxazolidine-2,4-dione (PubChem CID 71550242) has the molecular formula C30H23FN4O3 and a molecular weight of 506.54 g/mol. Its IUPAC name is (5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-(6-pyridin-3-yl-1H-benzimidazol-2-yl)-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-(6-pyridin-3-yl-1H-benzimidazol-2-yl)-1,3-oxazolidine-2,4-dione
PubChem CID71550242
Molecular FormulaC30H23FN4O3
Molecular Weight506.54 g/mol
Exact Mass506.18
IUPAC Name(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-(6-pyridin-3-yl-1H-benzimidazol-2-yl)-1,3-oxazolidine-2,4-dione
SMILESC[C@H](c1ccc(F)cc1)N1C(=O)O[C@](Cc2ccccc2)(c2nc3ccc(-c4cccnc4)cc3[nH]2)C1=O
InChIInChI=1S/C30H23FN4O3/c1-19(21-9-12-24(31)13-10-21)35-28(36)30(38-29(35)37,17-20-6-3-2-4-7-20)27-33-25-14-11-22(16-26(25)34-27)23-8-5-15-32-18-23/h2-16,18-19H,17H2,1H3,(H,33,34)/t19-,30-/m1/s1
InChIKeyQZHFQEFAPKPMGA-HZAQMHFWSA-N
XLogP5.94
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.54
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-(6-pyridin-3-yl-1H-benzimidazol-2-yl)-1,3-oxazolidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-(6-pyridin-3-yl-1H-benzimidazol-2-yl)-1,3-oxazolidine-2,4-dione?
The IUPAC name of (5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-(6-pyridin-3-yl-1H-benzimidazol-2-yl)-1,3-oxazolidine-2,4-dione (CID 71550242) is (5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-(6-pyridin-3-yl-1H-benzimidazol-2-yl)-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-(6-pyridin-3-yl-1H-benzimidazol-2-yl)-1,3-oxazolidine-2,4-dione?
The canonical SMILES for (5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-(6-pyridin-3-yl-1H-benzimidazol-2-yl)-1,3-oxazolidine-2,4-dione is C[C@H](c1ccc(F)cc1)N1C(=O)O[C@](Cc2ccccc2)(c2nc3ccc(-c4cccnc4)cc3[nH]2)C1=O.
What is the InChIKey of (5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-(6-pyridin-3-yl-1H-benzimidazol-2-yl)-1,3-oxazolidine-2,4-dione?
The InChIKey is QZHFQEFAPKPMGA-HZAQMHFWSA-N. The full InChI is InChI=1S/C30H23FN4O3/c1-19(21-9-12-24(31)13-10-21)35-28(36)30(38-29(35)37,17-20-6-3-2-4-7-20)27-33-25-14-11-22(16-26(25)34-27)23-8-5-15-32-18-23/h2-16,18-19H,17H2,1H3,(H,33,34)/t19-,30-/m1/s1.
What are the key properties of (5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-(6-pyridin-3-yl-1H-benzimidazol-2-yl)-1,3-oxazolidine-2,4-dione?
(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-(6-pyridin-3-yl-1H-benzimidazol-2-yl)-1,3-oxazolidine-2,4-dione has a molecular weight of 506.54 g/mol, XLogP of 5.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-(6-pyridin-3-yl-1H-benzimidazol-2-yl)-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 71550242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).