1-[(2R,3R)-3-(2-fluorophenyl)-3-hydroxy-4-(triazol-1-yl)butan-2-yl]-3-[4-(triazol-2-yl)phenyl]imidazol-2-one

C23H21FN8O2 — CID 54527851

IUPAC1-[(2R,3R)-3-(2-fluorophenyl)-3-hydroxy-4-(triazol-1-yl)butan-2-yl]-3-[4-(triazol-2-yl)phenyl]imidazol-2-one
SMILESC[C@@H](n1ccn(-c2ccc(-n3nccn3)cc2)c1=O)[C@](O)(Cn1ccnn1)c1ccccc1F
InChIInChI=1S/C23H21FN8O2/c1-17(23(34,16-29-13-12-25-28-29)20-4-2-3-5-21(20)24)30-14-15-31(22(30)33)18-6-8-19(9-7-18)32-26-10-11-27-32/h2-15,17,34H,16H2,1H3/t17-,23-/m1/s1
InChIKeyYUJIBNZHYOUNHK-UZUQRXQVSA-N
MW460.47 g/mol
LogP2.10
Rot. Bonds7

About 1-[(2R,3R)-3-(2-fluorophenyl)-3-hydroxy-4-(triazol-1-yl)butan-2-yl]-3-[4-(triazol-2-yl)phenyl]imidazol-2-one

1-[(2R,3R)-3-(2-fluorophenyl)-3-hydroxy-4-(triazol-1-yl)butan-2-yl]-3-[4-(triazol-2-yl)phenyl]imidazol-2-one (PubChem CID 54527851) has the molecular formula C23H21FN8O2 and a molecular weight of 460.47 g/mol. Its IUPAC name is 1-[(2R,3R)-3-(2-fluorophenyl)-3-hydroxy-4-(triazol-1-yl)butan-2-yl]-3-[4-(triazol-2-yl)phenyl]imidazol-2-one.

Molecular Properties

Compound Name1-[(2R,3R)-3-(2-fluorophenyl)-3-hydroxy-4-(triazol-1-yl)butan-2-yl]-3-[4-(triazol-2-yl)phenyl]imidazol-2-one
PubChem CID54527851
Molecular FormulaC23H21FN8O2
Molecular Weight460.47 g/mol
Exact Mass460.18
IUPAC Name1-[(2R,3R)-3-(2-fluorophenyl)-3-hydroxy-4-(triazol-1-yl)butan-2-yl]-3-[4-(triazol-2-yl)phenyl]imidazol-2-one
SMILESC[C@@H](n1ccn(-c2ccc(-n3nccn3)cc2)c1=O)[C@](O)(Cn1ccnn1)c1ccccc1F
InChIInChI=1S/C23H21FN8O2/c1-17(23(34,16-29-13-12-25-28-29)20-4-2-3-5-21(20)24)30-14-15-31(22(30)33)18-6-8-19(9-7-18)32-26-10-11-27-32/h2-15,17,34H,16H2,1H3/t17-,23-/m1/s1
InChIKeyYUJIBNZHYOUNHK-UZUQRXQVSA-N
XLogP2.10
TPSA108.58 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.47
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3R)-3-(2-fluorophenyl)-3-hydroxy-4-(triazol-1-yl)butan-2-yl]-3-[4-(triazol-2-yl)phenyl]imidazol-2-one?
The IUPAC name of 1-[(2R,3R)-3-(2-fluorophenyl)-3-hydroxy-4-(triazol-1-yl)butan-2-yl]-3-[4-(triazol-2-yl)phenyl]imidazol-2-one (CID 54527851) is 1-[(2R,3R)-3-(2-fluorophenyl)-3-hydroxy-4-(triazol-1-yl)butan-2-yl]-3-[4-(triazol-2-yl)phenyl]imidazol-2-one.
What is the SMILES notation for 1-[(2R,3R)-3-(2-fluorophenyl)-3-hydroxy-4-(triazol-1-yl)butan-2-yl]-3-[4-(triazol-2-yl)phenyl]imidazol-2-one?
The canonical SMILES for 1-[(2R,3R)-3-(2-fluorophenyl)-3-hydroxy-4-(triazol-1-yl)butan-2-yl]-3-[4-(triazol-2-yl)phenyl]imidazol-2-one is C[C@@H](n1ccn(-c2ccc(-n3nccn3)cc2)c1=O)[C@](O)(Cn1ccnn1)c1ccccc1F.
What is the InChIKey of 1-[(2R,3R)-3-(2-fluorophenyl)-3-hydroxy-4-(triazol-1-yl)butan-2-yl]-3-[4-(triazol-2-yl)phenyl]imidazol-2-one?
The InChIKey is YUJIBNZHYOUNHK-UZUQRXQVSA-N. The full InChI is InChI=1S/C23H21FN8O2/c1-17(23(34,16-29-13-12-25-28-29)20-4-2-3-5-21(20)24)30-14-15-31(22(30)33)18-6-8-19(9-7-18)32-26-10-11-27-32/h2-15,17,34H,16H2,1H3/t17-,23-/m1/s1.
What are the key properties of 1-[(2R,3R)-3-(2-fluorophenyl)-3-hydroxy-4-(triazol-1-yl)butan-2-yl]-3-[4-(triazol-2-yl)phenyl]imidazol-2-one?
1-[(2R,3R)-3-(2-fluorophenyl)-3-hydroxy-4-(triazol-1-yl)butan-2-yl]-3-[4-(triazol-2-yl)phenyl]imidazol-2-one has a molecular weight of 460.47 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3R)-3-(2-fluorophenyl)-3-hydroxy-4-(triazol-1-yl)butan-2-yl]-3-[4-(triazol-2-yl)phenyl]imidazol-2-one is sourced from PubChem (CID 54527851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).