4-[[(2R,3S)-2-[(1R)-1-(3,5-dimethylphenyl)ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,3-dihydroimidazol-2-one

C24H28FN3O3 — CID 54251988

IUPAC4-[[(2R,3S)-2-[(1R)-1-(3,5-dimethylphenyl)ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,3-dihydroimidazol-2-one
SMILESCc1cc(C)cc([C@@H](C)O[C@H]2OCCN(Cc3c[nH]c(=O)[nH]3)C2c2ccc(F)cc2)c1
InChIInChI=1S/C24H28FN3O3/c1-15-10-16(2)12-19(11-15)17(3)31-23-22(18-4-6-20(25)7-5-18)28(8-9-30-23)14-21-13-26-24(29)27-21/h4-7,10-13,17,22-23H,8-9,14H2,1-3H3,(H2,26,27,29)/t17-,22?,23-/m1/s1
InChIKeyQXKNYYYZXRVXNU-NUQQNKIWSA-N
MW425.50 g/mol
LogP4.14
Rot. Bonds6

About 4-[[(2R,3S)-2-[(1R)-1-(3,5-dimethylphenyl)ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,3-dihydroimidazol-2-one

4-[[(2R,3S)-2-[(1R)-1-(3,5-dimethylphenyl)ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,3-dihydroimidazol-2-one (PubChem CID 54251988) has the molecular formula C24H28FN3O3 and a molecular weight of 425.50 g/mol. Its IUPAC name is 4-[[(2R,3S)-2-[(1R)-1-(3,5-dimethylphenyl)ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-[[(2R,3S)-2-[(1R)-1-(3,5-dimethylphenyl)ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,3-dihydroimidazol-2-one
PubChem CID54251988
Molecular FormulaC24H28FN3O3
Molecular Weight425.50 g/mol
Exact Mass425.21
IUPAC Name4-[[(2R,3S)-2-[(1R)-1-(3,5-dimethylphenyl)ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,3-dihydroimidazol-2-one
SMILESCc1cc(C)cc([C@@H](C)O[C@H]2OCCN(Cc3c[nH]c(=O)[nH]3)C2c2ccc(F)cc2)c1
InChIInChI=1S/C24H28FN3O3/c1-15-10-16(2)12-19(11-15)17(3)31-23-22(18-4-6-20(25)7-5-18)28(8-9-30-23)14-21-13-26-24(29)27-21/h4-7,10-13,17,22-23H,8-9,14H2,1-3H3,(H2,26,27,29)/t17-,22?,23-/m1/s1
InChIKeyQXKNYYYZXRVXNU-NUQQNKIWSA-N
XLogP4.14
TPSA70.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2R,3S)-2-[(1R)-1-(3,5-dimethylphenyl)ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-[[(2R,3S)-2-[(1R)-1-(3,5-dimethylphenyl)ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,3-dihydroimidazol-2-one (CID 54251988) is 4-[[(2R,3S)-2-[(1R)-1-(3,5-dimethylphenyl)ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-[[(2R,3S)-2-[(1R)-1-(3,5-dimethylphenyl)ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-[[(2R,3S)-2-[(1R)-1-(3,5-dimethylphenyl)ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,3-dihydroimidazol-2-one is Cc1cc(C)cc([C@@H](C)O[C@H]2OCCN(Cc3c[nH]c(=O)[nH]3)C2c2ccc(F)cc2)c1.
What is the InChIKey of 4-[[(2R,3S)-2-[(1R)-1-(3,5-dimethylphenyl)ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,3-dihydroimidazol-2-one?
The InChIKey is QXKNYYYZXRVXNU-NUQQNKIWSA-N. The full InChI is InChI=1S/C24H28FN3O3/c1-15-10-16(2)12-19(11-15)17(3)31-23-22(18-4-6-20(25)7-5-18)28(8-9-30-23)14-21-13-26-24(29)27-21/h4-7,10-13,17,22-23H,8-9,14H2,1-3H3,(H2,26,27,29)/t17-,22?,23-/m1/s1.
What are the key properties of 4-[[(2R,3S)-2-[(1R)-1-(3,5-dimethylphenyl)ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,3-dihydroimidazol-2-one?
4-[[(2R,3S)-2-[(1R)-1-(3,5-dimethylphenyl)ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,3-dihydroimidazol-2-one has a molecular weight of 425.50 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R,3S)-2-[(1R)-1-(3,5-dimethylphenyl)ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 54251988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).