1-[3-[(2R)-2-(4-bromophenyl)morpholine-4-carbonyl]phenyl]imidazolidin-2-one

C20H20BrN3O3 — CID 97077495

IUPAC1-[3-[(2R)-2-(4-bromophenyl)morpholine-4-carbonyl]phenyl]imidazolidin-2-one
SMILESO=C(c1cccc(N2CCNC2=O)c1)N1CCO[C@H](c2ccc(Br)cc2)C1
InChIInChI=1S/C20H20BrN3O3/c21-16-6-4-14(5-7-16)18-13-23(10-11-27-18)19(25)15-2-1-3-17(12-15)24-9-8-22-20(24)26/h1-7,12,18H,8-11,13H2,(H,22,26)/t18-/m0/s1
InChIKeyUKLDECMETFYGBH-SFHVURJKSA-N
MW430.30 g/mol
LogP3.19
Rot. Bonds3

About 1-[3-[(2R)-2-(4-bromophenyl)morpholine-4-carbonyl]phenyl]imidazolidin-2-one

1-[3-[(2R)-2-(4-bromophenyl)morpholine-4-carbonyl]phenyl]imidazolidin-2-one (PubChem CID 97077495) has the molecular formula C20H20BrN3O3 and a molecular weight of 430.30 g/mol. Its IUPAC name is 1-[3-[(2R)-2-(4-bromophenyl)morpholine-4-carbonyl]phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[3-[(2R)-2-(4-bromophenyl)morpholine-4-carbonyl]phenyl]imidazolidin-2-one
PubChem CID97077495
Molecular FormulaC20H20BrN3O3
Molecular Weight430.30 g/mol
Exact Mass429.07
IUPAC Name1-[3-[(2R)-2-(4-bromophenyl)morpholine-4-carbonyl]phenyl]imidazolidin-2-one
SMILESO=C(c1cccc(N2CCNC2=O)c1)N1CCO[C@H](c2ccc(Br)cc2)C1
InChIInChI=1S/C20H20BrN3O3/c21-16-6-4-14(5-7-16)18-13-23(10-11-27-18)19(25)15-2-1-3-17(12-15)24-9-8-22-20(24)26/h1-7,12,18H,8-11,13H2,(H,22,26)/t18-/m0/s1
InChIKeyUKLDECMETFYGBH-SFHVURJKSA-N
XLogP3.19
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.30
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-bromophenyl)morpholin-4-yl]-(3-chlorophenyl)methanone
CID 47913302
[2-(4-bromophenyl)morpholin-4-yl]-(4-fluorophenyl)methanone
CID 47913292
1-[5-[2-(4-fluorophenyl)morpholine-4-carbonyl]-2-methylphenyl]imidazolidin-2-one
CID 70761450
[(2R)-2-(4-bromophenyl)morpholin-4-yl]-(1H-indol-6-yl)methanone
CID 95215393
1,3-benzodioxol-5-yl-[2-(4-bromophenyl)morpholin-4-yl]methanone
CID 47913286
4-[3-[2-(4-fluorophenyl)morpholine-4-carbonyl]phenyl]sulfonylpiperazin-2-one
CID 42949393
[2-(4-bromophenyl)morpholin-4-yl]-(3,5-dinitrophenyl)methanone
CID 60587125
(9aR)-8-methyl-2-[3-(2-oxoimidazolidin-1-yl)benzoyl]-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 95131956
(3-bromo-5-fluorophenyl)-(2-phenylmorpholin-4-yl)methanone
CID 110629876
[2-(4-bromophenyl)morpholin-4-yl]-(2,5-difluorophenyl)methanone
CID 47913144
3-[(2S)-2-(4-bromophenyl)morpholine-4-carbonyl]-2H-isoquinolin-1-one
CID 94975491
[2-(4-fluorophenyl)morpholin-4-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 47517184

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2R)-2-(4-bromophenyl)morpholine-4-carbonyl]phenyl]imidazolidin-2-one?
The IUPAC name of 1-[3-[(2R)-2-(4-bromophenyl)morpholine-4-carbonyl]phenyl]imidazolidin-2-one (CID 97077495) is 1-[3-[(2R)-2-(4-bromophenyl)morpholine-4-carbonyl]phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[3-[(2R)-2-(4-bromophenyl)morpholine-4-carbonyl]phenyl]imidazolidin-2-one?
The canonical SMILES for 1-[3-[(2R)-2-(4-bromophenyl)morpholine-4-carbonyl]phenyl]imidazolidin-2-one is O=C(c1cccc(N2CCNC2=O)c1)N1CCO[C@H](c2ccc(Br)cc2)C1.
What is the InChIKey of 1-[3-[(2R)-2-(4-bromophenyl)morpholine-4-carbonyl]phenyl]imidazolidin-2-one?
The InChIKey is UKLDECMETFYGBH-SFHVURJKSA-N. The full InChI is InChI=1S/C20H20BrN3O3/c21-16-6-4-14(5-7-16)18-13-23(10-11-27-18)19(25)15-2-1-3-17(12-15)24-9-8-22-20(24)26/h1-7,12,18H,8-11,13H2,(H,22,26)/t18-/m0/s1.
What are the key properties of 1-[3-[(2R)-2-(4-bromophenyl)morpholine-4-carbonyl]phenyl]imidazolidin-2-one?
1-[3-[(2R)-2-(4-bromophenyl)morpholine-4-carbonyl]phenyl]imidazolidin-2-one has a molecular weight of 430.30 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2R)-2-(4-bromophenyl)morpholine-4-carbonyl]phenyl]imidazolidin-2-one is sourced from PubChem (CID 97077495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).