(4R)-4-(3-bromo-2-hydroxy-5-nitrophenyl)imidazolidin-2-one

C9H8BrN3O4 — CID 171252621

IUPAC(4R)-4-(3-bromo-2-hydroxy-5-nitrophenyl)imidazolidin-2-one
SMILESO=C1NC[C@@H](c2cc([N+](=O)[O-])cc(Br)c2O)N1
InChIInChI=1S/C9H8BrN3O4/c10-6-2-4(13(16)17)1-5(8(6)14)7-3-11-9(15)12-7/h1-2,7,14H,3H2,(H2,11,12,15)/t7-/m0/s1
InChIKeyCGRBFYVLTBMFDS-ZETCQYMHSA-N
MW302.08 g/mol
LogP1.42
Rot. Bonds2

About (4R)-4-(3-bromo-2-hydroxy-5-nitrophenyl)imidazolidin-2-one

(4R)-4-(3-bromo-2-hydroxy-5-nitrophenyl)imidazolidin-2-one (PubChem CID 171252621) has the molecular formula C9H8BrN3O4 and a molecular weight of 302.08 g/mol. Its IUPAC name is (4R)-4-(3-bromo-2-hydroxy-5-nitrophenyl)imidazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(3-bromo-2-hydroxy-5-nitrophenyl)imidazolidin-2-one
PubChem CID171252621
Molecular FormulaC9H8BrN3O4
Molecular Weight302.08 g/mol
Exact Mass300.97
IUPAC Name(4R)-4-(3-bromo-2-hydroxy-5-nitrophenyl)imidazolidin-2-one
SMILESO=C1NC[C@@H](c2cc([N+](=O)[O-])cc(Br)c2O)N1
InChIInChI=1S/C9H8BrN3O4/c10-6-2-4(13(16)17)1-5(8(6)14)7-3-11-9(15)12-7/h1-2,7,14H,3H2,(H2,11,12,15)/t7-/m0/s1
InChIKeyCGRBFYVLTBMFDS-ZETCQYMHSA-N
XLogP1.42
TPSA104.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.08
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl (4S)-4-(3-bromo-2-hydroxy-5-nitrophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7348945
(4S)-4-(5-fluoro-2-nitrophenyl)imidazolidin-2-one
CID 171252708
(4S)-4-(4-hydroxy-3-methoxy-5-nitrophenyl)imidazolidin-2-one
CID 171252740
(4R)-4-(2,3,4-trihydroxyphenyl)imidazolidin-2-one
CID 131484948
(4S)-4-(2-bromo-4-chlorophenyl)imidazolidin-2-one
CID 130613636
2-[(S)-amino(cyclopentyl)methyl]-6-bromo-4-nitrophenol;hydrochloride
CID 171232917
(4S)-8-bromo-6-nitro-3,4-dihydro-2H-chromen-4-amine
CID 131600145
(4R)-4-(2-fluoro-4-hydroxyphenyl)imidazolidin-2-one
CID 131037955
9-(3-bromo-2-hydroxy-5-nitrophenyl)-7,7-dimethyl-2,3,4,5,6,9-hexahydrothieno[3,2-b]quinolin-8-one
CID 70149453
2-[(1S,2R)-1-amino-2-cyclopentyl-2-hydroxyethyl]-6-bromo-4-nitrophenol
CID 171270646
5-(3-bromo-2-hydroxy-5-nitrophenyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one
CID 3098972
2-methoxy-4-nitro-6-[(2S)-pyrrolidin-2-yl]phenol
CID 171196587

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(3-bromo-2-hydroxy-5-nitrophenyl)imidazolidin-2-one?
The IUPAC name of (4R)-4-(3-bromo-2-hydroxy-5-nitrophenyl)imidazolidin-2-one (CID 171252621) is (4R)-4-(3-bromo-2-hydroxy-5-nitrophenyl)imidazolidin-2-one.
What is the SMILES notation for (4R)-4-(3-bromo-2-hydroxy-5-nitrophenyl)imidazolidin-2-one?
The canonical SMILES for (4R)-4-(3-bromo-2-hydroxy-5-nitrophenyl)imidazolidin-2-one is O=C1NC[C@@H](c2cc([N+](=O)[O-])cc(Br)c2O)N1.
What is the InChIKey of (4R)-4-(3-bromo-2-hydroxy-5-nitrophenyl)imidazolidin-2-one?
The InChIKey is CGRBFYVLTBMFDS-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H8BrN3O4/c10-6-2-4(13(16)17)1-5(8(6)14)7-3-11-9(15)12-7/h1-2,7,14H,3H2,(H2,11,12,15)/t7-/m0/s1.
What are the key properties of (4R)-4-(3-bromo-2-hydroxy-5-nitrophenyl)imidazolidin-2-one?
(4R)-4-(3-bromo-2-hydroxy-5-nitrophenyl)imidazolidin-2-one has a molecular weight of 302.08 g/mol, XLogP of 1.42, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(3-bromo-2-hydroxy-5-nitrophenyl)imidazolidin-2-one is sourced from PubChem (CID 171252621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).