1-[(4-fluorophenyl)methyl]-5-hydroxy-4-[3-(4-methoxyphenyl)propyl]-3-propylimidazol-2-one

C23H27FN2O3 — CID 91415007

IUPAC1-[(4-fluorophenyl)methyl]-5-hydroxy-4-[3-(4-methoxyphenyl)propyl]-3-propylimidazol-2-one
SMILESCCCn1c(CCCc2ccc(OC)cc2)c(O)n(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C23H27FN2O3/c1-3-15-25-21(6-4-5-17-9-13-20(29-2)14-10-17)22(27)26(23(25)28)16-18-7-11-19(24)12-8-18/h7-14,27H,3-6,15-16H2,1-2H3
InChIKeyGYTULVXRCAZQNW-UHFFFAOYSA-N
MW398.48 g/mol
LogP4.14
Rot. Bonds9

About 1-[(4-fluorophenyl)methyl]-5-hydroxy-4-[3-(4-methoxyphenyl)propyl]-3-propylimidazol-2-one

1-[(4-fluorophenyl)methyl]-5-hydroxy-4-[3-(4-methoxyphenyl)propyl]-3-propylimidazol-2-one (PubChem CID 91415007) has the molecular formula C23H27FN2O3 and a molecular weight of 398.48 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-5-hydroxy-4-[3-(4-methoxyphenyl)propyl]-3-propylimidazol-2-one.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-5-hydroxy-4-[3-(4-methoxyphenyl)propyl]-3-propylimidazol-2-one
PubChem CID91415007
Molecular FormulaC23H27FN2O3
Molecular Weight398.48 g/mol
Exact Mass398.20
IUPAC Name1-[(4-fluorophenyl)methyl]-5-hydroxy-4-[3-(4-methoxyphenyl)propyl]-3-propylimidazol-2-one
SMILESCCCn1c(CCCc2ccc(OC)cc2)c(O)n(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C23H27FN2O3/c1-3-15-25-21(6-4-5-17-9-13-20(29-2)14-10-17)22(27)26(23(25)28)16-18-7-11-19(24)12-8-18/h7-14,27H,3-6,15-16H2,1-2H3
InChIKeyGYTULVXRCAZQNW-UHFFFAOYSA-N
XLogP4.14
TPSA56.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-5-hydroxy-4-[3-(4-methoxyphenyl)propyl]-3-propylimidazol-2-one?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-5-hydroxy-4-[3-(4-methoxyphenyl)propyl]-3-propylimidazol-2-one (CID 91415007) is 1-[(4-fluorophenyl)methyl]-5-hydroxy-4-[3-(4-methoxyphenyl)propyl]-3-propylimidazol-2-one.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-5-hydroxy-4-[3-(4-methoxyphenyl)propyl]-3-propylimidazol-2-one?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-5-hydroxy-4-[3-(4-methoxyphenyl)propyl]-3-propylimidazol-2-one is CCCn1c(CCCc2ccc(OC)cc2)c(O)n(Cc2ccc(F)cc2)c1=O.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-5-hydroxy-4-[3-(4-methoxyphenyl)propyl]-3-propylimidazol-2-one?
The InChIKey is GYTULVXRCAZQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O3/c1-3-15-25-21(6-4-5-17-9-13-20(29-2)14-10-17)22(27)26(23(25)28)16-18-7-11-19(24)12-8-18/h7-14,27H,3-6,15-16H2,1-2H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-5-hydroxy-4-[3-(4-methoxyphenyl)propyl]-3-propylimidazol-2-one?
1-[(4-fluorophenyl)methyl]-5-hydroxy-4-[3-(4-methoxyphenyl)propyl]-3-propylimidazol-2-one has a molecular weight of 398.48 g/mol, XLogP of 4.14, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-5-hydroxy-4-[3-(4-methoxyphenyl)propyl]-3-propylimidazol-2-one is sourced from PubChem (CID 91415007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).