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

C31H25FN4O4 — CID 71550526

IUPAC(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-[4-(2-methoxy-3-pyridinyl)-1H-benzimidazol-2-yl]-1,3-oxazolidine-2,4-dione
SMILESCOc1ncccc1-c1cccc2[nH]c([C@@]3(Cc4ccccc4)OC(=O)N([C@H](C)c4ccc(F)cc4)C3=O)nc12
InChIInChI=1S/C31H25FN4O4/c1-19(21-13-15-22(32)16-14-21)36-29(37)31(40-30(36)38,18-20-8-4-3-5-9-20)28-34-25-12-6-10-23(26(25)35-28)24-11-7-17-33-27(24)39-2/h3-17,19H,18H2,1-2H3,(H,34,35)/t19-,31-/m1/s1
InChIKeyMIRSSVGIAXADBS-FZYZMVIOSA-N
MW536.56 g/mol
LogP5.95
Rot. Bonds7

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

(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-[4-(2-methoxy-3-pyridinyl)-1H-benzimidazol-2-yl]-1,3-oxazolidine-2,4-dione (PubChem CID 71550526) has the molecular formula C31H25FN4O4 and a molecular weight of 536.56 g/mol. Its IUPAC name is (5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-[4-(2-methoxy-3-pyridinyl)-1H-benzimidazol-2-yl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-[4-(2-methoxy-3-pyridinyl)-1H-benzimidazol-2-yl]-1,3-oxazolidine-2,4-dione
PubChem CID71550526
Molecular FormulaC31H25FN4O4
Molecular Weight536.56 g/mol
Exact Mass536.19
IUPAC Name(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-[4-(2-methoxy-3-pyridinyl)-1H-benzimidazol-2-yl]-1,3-oxazolidine-2,4-dione
SMILESCOc1ncccc1-c1cccc2[nH]c([C@@]3(Cc4ccccc4)OC(=O)N([C@H](C)c4ccc(F)cc4)C3=O)nc12
InChIInChI=1S/C31H25FN4O4/c1-19(21-13-15-22(32)16-14-21)36-29(37)31(40-30(36)38,18-20-8-4-3-5-9-20)28-34-25-12-6-10-23(26(25)35-28)24-11-7-17-33-27(24)39-2/h3-17,19H,18H2,1-2H3,(H,34,35)/t19-,31-/m1/s1
InChIKeyMIRSSVGIAXADBS-FZYZMVIOSA-N
XLogP5.95
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.56
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-[4-(2-methoxy-3-pyridinyl)-1H-benzimidazol-2-yl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of (5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-[4-(2-methoxy-3-pyridinyl)-1H-benzimidazol-2-yl]-1,3-oxazolidine-2,4-dione (CID 71550526) is (5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-[4-(2-methoxy-3-pyridinyl)-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-[4-(2-methoxy-3-pyridinyl)-1H-benzimidazol-2-yl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for (5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-[4-(2-methoxy-3-pyridinyl)-1H-benzimidazol-2-yl]-1,3-oxazolidine-2,4-dione is COc1ncccc1-c1cccc2[nH]c([C@@]3(Cc4ccccc4)OC(=O)N([C@H](C)c4ccc(F)cc4)C3=O)nc12.
What is the InChIKey of (5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-[4-(2-methoxy-3-pyridinyl)-1H-benzimidazol-2-yl]-1,3-oxazolidine-2,4-dione?
The InChIKey is MIRSSVGIAXADBS-FZYZMVIOSA-N. The full InChI is InChI=1S/C31H25FN4O4/c1-19(21-13-15-22(32)16-14-21)36-29(37)31(40-30(36)38,18-20-8-4-3-5-9-20)28-34-25-12-6-10-23(26(25)35-28)24-11-7-17-33-27(24)39-2/h3-17,19H,18H2,1-2H3,(H,34,35)/t19-,31-/m1/s1.
What are the key properties of (5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-[4-(2-methoxy-3-pyridinyl)-1H-benzimidazol-2-yl]-1,3-oxazolidine-2,4-dione?
(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-[4-(2-methoxy-3-pyridinyl)-1H-benzimidazol-2-yl]-1,3-oxazolidine-2,4-dione has a molecular weight of 536.56 g/mol, XLogP of 5.95, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-[4-(2-methoxy-3-pyridinyl)-1H-benzimidazol-2-yl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 71550526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).